[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H24F2N2O2 — CID 42792396

IUPAC[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C20H24F2N2O2/c1-12-7-13(2)24(11-16-5-6-17(21)18(22)8-16)19(12)20(25)23-9-14(3)26-15(4)10-23/h5-8,14-15H,9-11H2,1-4H3
InChIKeyYUCYXPPKBRMDBF-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.68
Rot. Bonds3

About [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 42792396) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID42792396
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C20H24F2N2O2/c1-12-7-13(2)24(11-16-5-6-17(21)18(22)8-16)19(12)20(25)23-9-14(3)26-15(4)10-23/h5-8,14-15H,9-11H2,1-4H3
InChIKeyYUCYXPPKBRMDBF-UHFFFAOYSA-N
XLogP3.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrrol-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7202269
1-[(3,4-difluorophenyl)methyl]-3,5-dimethyl-N-[(1S)-1-phenylethyl]pyrrole-2-carboxamide
CID 7415422
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853038
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(4-fluoro-3-sulfanylphenyl)methanone
CID 107036472
[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42789584
N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
CID 42810286
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916
[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-ylpyrrol-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7206005
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25459404
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 42792396) is [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is Cc1cc(C)n(Cc2ccc(F)c(F)c2)c1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is YUCYXPPKBRMDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-12-7-13(2)24(11-16-5-6-17(21)18(22)8-16)19(12)20(25)23-9-14(3)26-15(4)10-23/h5-8,14-15H,9-11H2,1-4H3.
What are the key properties of [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 362.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpyrrol-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 42792396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).