(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C20H18F2N2O — CID 92710105

IUPAC(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(F)c(F)c2)n2cccc2)c1
InChIInChI=1S/C20H18F2N2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-16-7-8-17(21)18(22)12-16/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyRGSIGWMTYNTVAK-IBGZPJMESA-N
MW340.37 g/mol
LogP4.69
Rot. Bonds5

About (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92710105) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92710105
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(F)c(F)c2)n2cccc2)c1
InChIInChI=1S/C20H18F2N2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-16-7-8-17(21)18(22)12-16/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyRGSIGWMTYNTVAK-IBGZPJMESA-N
XLogP4.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92710137
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92710105) is (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1cccc([C@H](CC(=O)Nc2ccc(F)c(F)c2)n2cccc2)c1.
What is the InChIKey of (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is RGSIGWMTYNTVAK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-16-7-8-17(21)18(22)12-16/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 340.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).