(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C20H18ClFN2O — CID 92710109

IUPAC(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(Cl)cc2F)n2cccc2)c1
InChIInChI=1S/C20H18ClFN2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-18-8-7-16(21)12-17(18)22/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeySGADMXMDYMNJRJ-IBGZPJMESA-N
MW356.83 g/mol
LogP5.21
Rot. Bonds5

About (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92710109) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92710109
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(Cl)cc2F)n2cccc2)c1
InChIInChI=1S/C20H18ClFN2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-18-8-7-16(21)12-17(18)22/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeySGADMXMDYMNJRJ-IBGZPJMESA-N
XLogP5.21
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
(3S)-N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709223
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
N-cyclopentyl-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342997
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92710137
(3S)-N-(2-chloro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709707

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92710109) is (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1cccc([C@H](CC(=O)Nc2ccc(Cl)cc2F)n2cccc2)c1.
What is the InChIKey of (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is SGADMXMDYMNJRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18ClFN2O/c1-14-5-4-6-15(11-14)19(24-9-2-3-10-24)13-20(25)23-18-8-7-16(21)12-17(18)22/h2-12,19H,13H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 356.83 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).