(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

C21H19ClN6O2 — CID 125431434

IUPAC(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C21H19ClN6O2/c1-30-19-9-8-16(12-17(19)21-24-26-27-25-21)23-20(29)13-18(28-10-2-3-11-28)14-4-6-15(22)7-5-14/h2-12,18H,13H2,1H3,(H,23,29)(H,24,25,26,27)/t18-/m1/s1
InChIKeyRPPKWWZZJKBYJU-GOSISDBHSA-N
MW422.88 g/mol
LogP3.95
Rot. Bonds7

About (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (PubChem CID 125431434) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
PubChem CID125431434
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)cc1-c1nn[nH]n1
InChIInChI=1S/C21H19ClN6O2/c1-30-19-9-8-16(12-17(19)21-24-26-27-25-21)23-20(29)13-18(28-10-2-3-11-28)14-4-6-15(22)7-5-14/h2-12,18H,13H2,1H3,(H,23,29)(H,24,25,26,27)/t18-/m1/s1
InChIKeyRPPKWWZZJKBYJU-GOSISDBHSA-N
XLogP3.95
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
CID 125434339
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
CID 127254540
2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110204423
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
(3S)-3-(4-chlorophenyl)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-ylpropanamide
CID 125432558
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-3-(4-chlorophenyl)-3-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 125432197
(3S)-N-(3-acetylphenyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709311
(3S)-3-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-4-pyrrol-1-ylbutanamide
CID 97266547
N-(3-chloro-4-methoxyphenyl)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 46277999

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (CID 125431434) is (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is COc1ccc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)cc1-c1nn[nH]n1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is RPPKWWZZJKBYJU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-30-19-9-8-16(12-17(19)21-24-26-27-25-21)23-20(29)13-18(28-10-2-3-11-28)14-4-6-15(22)7-5-14/h2-12,18H,13H2,1H3,(H,23,29)(H,24,25,26,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
(3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 422.88 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 125431434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).