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

C21H21ClN2O3 — CID 92709595

IUPAC(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2cccc2)c1
InChIInChI=1S/C21H21ClN2O3/c1-26-17-7-5-6-15(12-17)19(24-10-3-4-11-24)14-21(25)23-18-13-16(22)8-9-20(18)27-2/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyQOKRAPFCXHOLOD-LJQANCHMSA-N
MW384.86 g/mol
LogP4.78
Rot. Bonds7

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

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709595) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709595
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2cccc2)c1
InChIInChI=1S/C21H21ClN2O3/c1-26-17-7-5-6-15(12-17)19(24-10-3-4-11-24)14-21(25)23-18-13-16(22)8-9-20(18)27-2/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyQOKRAPFCXHOLOD-LJQANCHMSA-N
XLogP4.78
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
(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
(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
1-(5-chloro-2-methoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623652
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277915

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 92709595) is (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1cccc([C@@H](CC(=O)Nc2cc(Cl)ccc2OC)n2cccc2)c1.
What is the InChIKey of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is QOKRAPFCXHOLOD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-26-17-7-5-6-15(12-17)19(24-10-3-4-11-24)14-21(25)23-18-13-16(22)8-9-20(18)27-2/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).