(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C21H21ClN2O2 — CID 92709525

IUPAC(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1
InChIInChI=1S/C21H21ClN2O2/c1-15-8-9-17(22)13-19(15)23-21(25)14-20(24-10-3-4-11-24)16-6-5-7-18(12-16)26-2/h3-13,20H,14H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyGJHXJLBQKFUGHG-HXUWFJFHSA-N
MW368.86 g/mol
LogP5.08
Rot. Bonds6

About (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709525) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709525
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1
InChIInChI=1S/C21H21ClN2O2/c1-15-8-9-17(22)13-19(15)23-21(25)14-20(24-10-3-4-11-24)16-6-5-7-18(12-16)26-2/h3-13,20H,14H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyGJHXJLBQKFUGHG-HXUWFJFHSA-N
XLogP5.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
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
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 46342878
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 92709525) is (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2C)n2cccc2)c1.
What is the InChIKey of (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is GJHXJLBQKFUGHG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-15-8-9-17(22)13-19(15)23-21(25)14-20(24-10-3-4-11-24)16-6-5-7-18(12-16)26-2/h3-13,20H,14H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 368.86 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).