N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide

C24H20ClF3N2O5 — CID 90062071

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(F)F
InChIInChI=1S/C24H20ClF3N2O5/c1-33-20-8-6-17(30-23(20)13-3-5-16(26)15(25)9-13)18(31)11-29-24(32)14-4-7-19(21(10-14)34-2)35-12-22(27)28/h3-10,22H,11-12H2,1-2H3,(H,29,32)
InChIKeyGDFOSUSCQYEACN-UHFFFAOYSA-N
MW508.88 g/mol
LogP4.81
Rot. Bonds10

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide (PubChem CID 90062071) has the molecular formula C24H20ClF3N2O5 and a molecular weight of 508.88 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
PubChem CID90062071
Molecular FormulaC24H20ClF3N2O5
Molecular Weight508.88 g/mol
Exact Mass508.10
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(F)F
InChIInChI=1S/C24H20ClF3N2O5/c1-33-20-8-6-17(30-23(20)13-3-5-16(26)15(25)9-13)18(31)11-29-24(32)14-4-7-19(21(10-14)34-2)35-12-22(27)28/h3-10,22H,11-12H2,1-2H3,(H,29,32)
InChIKeyGDFOSUSCQYEACN-UHFFFAOYSA-N
XLogP4.81
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.88
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 131981947
N-[2-[6-[4-fluoro-3-(fluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061507
N-[2-[6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062220
N-[(2S)-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3-hydroxy-1-oxopropan-2-yl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062239
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoropropyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 123829576
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
CID 90061824
N-[2-[4-(3-chloro-4-fluorophenyl)-1,5-dimethylimidazol-2-yl]-2-oxoethyl]-4-(2-fluoroethoxy)-3-methoxybenzamide
CID 90061982
N-[2-[6-(2,4-difluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061780
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
CID 162596443
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(difluoromethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-(4-ethoxy-3-methoxyphenyl)butane-1,4-dione;1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-(2-fluoro-4-methoxyphenyl)butane-1,4-dione;1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-(3-fluoro-4-methoxyphenyl)butane-1,4-dione;1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-(4-fluoro-3-methoxyphenyl)butane-1,4-dione
CID 158164497
3,4-dimethoxy-N-[2-[5-methoxy-6-(1H-pyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]benzamide
CID 90062223
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione
CID 146835922

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide (CID 90062071) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1OCC(F)F.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide?
The InChIKey is GDFOSUSCQYEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O5/c1-33-20-8-6-17(30-23(20)13-3-5-16(26)15(25)9-13)18(31)11-29-24(32)14-4-7-19(21(10-14)34-2)35-12-22(27)28/h3-10,22H,11-12H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide has a molecular weight of 508.88 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90062071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).