1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

C83H87ClF7N5O5 — CID 161392862

IUPAC1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCC.CC.CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1ccc(C(=O)Cc2ccc(F)c(C)c2)nc1.Cc1cnc(C(=O)Cc2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO.C16H15ClFNO.C16H15F2NO.C15H13F2NO.C15H14FNO.2C2H6/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;2*1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9-5-13(17)15(18-8-9)14(19)7-11-3-4-12(16)10(2)6-11;1-10-3-6-14(17-9-10)15(18)8-12-4-5-13(16)11(2)7-12;2*1-2/h4-8,10-11H,9H2,1-3H3;2*3-7,9-10H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*1-2H3
InChIKeyVTFIUHHPZFYSJP-UHFFFAOYSA-N
MW1403.08 g/mol
LogP21.13
Rot. Bonds18

About 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone

1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (PubChem CID 161392862) has the molecular formula C83H87ClF7N5O5 and a molecular weight of 1403.08 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
PubChem CID161392862
Molecular FormulaC83H87ClF7N5O5
Molecular Weight1403.08 g/mol
Exact Mass1401.63
IUPAC Name1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone
SMILESCC.CC.CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1ccc(C(=O)Cc2ccc(F)c(C)c2)nc1.Cc1cnc(C(=O)Cc2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C17H18FNO.C16H15ClFNO.C16H15F2NO.C15H13F2NO.C15H14FNO.2C2H6/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;2*1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9-5-13(17)15(18-8-9)14(19)7-11-3-4-12(16)10(2)6-11;1-10-3-6-14(17-9-10)15(18)8-12-4-5-13(16)11(2)7-12;2*1-2/h4-8,10-11H,9H2,1-3H3;2*3-7,9-10H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*1-2H3
InChIKeyVTFIUHHPZFYSJP-UHFFFAOYSA-N
XLogP21.13
TPSA149.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001403.08
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123232907
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;bis(4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide)
CID 123994544
3-(4-chloro-5-methyl-2-pyridinyl)-1-[4-[2-(3,4-dihydro-2H-pyrrol-5-yl)ethyl]-6-[4-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]butan-1-one
CID 153099805
N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 157366799
1-(2-Fluorophenyl)-4-pyridin-2-ylbutane-1,4-dione;1-(2-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione;tris(1-(3-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);tris(1-(4-methylphenyl)-4-pyridin-2-ylbutane-1,4-dione);1-pyridin-2-yl-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
CID 157779804
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 157789497
1-[6-(2-chlorophenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-cyclohexyl-1-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanimine;2-(2,3-dimethylbutan-2-yl)-3,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)pyridine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-methyl-2-pyridinyl)methanimine;1-[6-[N-(4-fluoro-2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanone;1-[6-[C-methyl-N-(2-methyl-6-propan-2-ylphenyl)carbonimidoyl]-2-pyridinyl]ethanone
CID 157893383
1-Chloro-3-(2-methylpropyl)benzene;1-(2-chlorophenyl)-3-methylbutan-1-one;1-(3-chlorophenyl)-3-methylbutan-1-one;2,2-difluoro-3-methyl-1-phenylbutan-1-one;1-(2,6-dimethylphenyl)-2-methylpropan-1-one;3-methyl-1-phenylbutan-1-one;3-methyl-1-pyridin-2-ylbutan-1-one
CID 158222939
1-(3-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-chloro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(5,6-dimethyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(3-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(4-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;1-(6-fluoro-5-methyl-2-pyridinyl)-2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)ethanone;2-(1-hydroxy-3,4-dihydro-2H-1-benzoborinin-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;2-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)-1-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158338532
(5-chloro-2-pyridinyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methanone;(R)-N-[(5-chloro-2-pyridinyl)-[3-fluoro-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide;(R)-2-methylpropane-2-sulfinamide
CID 158457291
[3-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-4-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylcyclohexyl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylcyclohexyl)methanone
CID 158721479

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone (CID 161392862) is 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is CC.CC.CC(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.CC(C)c1cc(CC(=O)c2ccc(F)cn2)ccc1F.Cc1ccc(C(=O)Cc2ccc(F)c(C(C)C)c2)nc1.Cc1ccc(C(=O)Cc2ccc(F)c(C)c2)nc1.Cc1cnc(C(=O)Cc2ccc(F)c(C)c2)c(F)c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is VTFIUHHPZFYSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO.C16H15ClFNO.C16H15F2NO.C15H13F2NO.C15H14FNO.2C2H6/c1-11(2)14-8-13(5-6-15(14)18)9-17(20)16-7-4-12(3)10-19-16;2*1-10(2)13-7-11(3-5-14(13)18)8-16(20)15-6-4-12(17)9-19-15;1-9-5-13(17)15(18-8-9)14(19)7-11-3-4-12(16)10(2)6-11;1-10-3-6-14(17-9-10)15(18)8-12-4-5-13(16)11(2)7-12;2*1-2/h4-8,10-11H,9H2,1-3H3;2*3-7,9-10H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-7,9H,8H2,1-2H3;2*1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone?
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 1403.08 g/mol, XLogP of 21.13, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-2-(4-fluoro-3-propan-2-ylphenyl)ethanone;ethane;2-(4-fluoro-3-methylphenyl)-1-(3-fluoro-5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-methylphenyl)-1-(5-methyl-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-fluoro-2-pyridinyl)ethanone;2-(4-fluoro-3-propan-2-ylphenyl)-1-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 161392862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).