N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C23H25ClN2O2 — CID 7295044

IUPACN-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2OC)c1C
InChIInChI=1S/C23H25ClN2O2/c1-5-15(2)25-23(27)19-14-21(17-10-12-18(24)13-11-17)26(16(19)3)20-8-6-7-9-22(20)28-4/h6-15H,5H2,1-4H3,(H,25,27)/t15-/m1/s1
InChIKeyJQHZVGRSGVYUPT-OAHLLOKOSA-N
MW396.92 g/mol
LogP5.64
Rot. Bonds6

About N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7295044) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID7295044
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC NameN-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2OC)c1C
InChIInChI=1S/C23H25ClN2O2/c1-5-15(2)25-23(27)19-14-21(17-10-12-18(24)13-11-17)26(16(19)3)20-8-6-7-9-22(20)28-4/h6-15H,5H2,1-4H3,(H,25,27)/t15-/m1/s1
InChIKeyJQHZVGRSGVYUPT-OAHLLOKOSA-N
XLogP5.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 7213262
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-2-methyl-N-(3-methylbutan-2-yl)-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 46126620
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrole-3-carboxamide
CID 7230230
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-butan-2-yl-2-methoxybenzamide
CID 3117660
5-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 92516432
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 7295044) is N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is CC[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2OC)c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is JQHZVGRSGVYUPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-5-15(2)25-23(27)19-14-21(17-10-12-18(24)13-11-17)26(16(19)3)20-8-6-7-9-22(20)28-4/h6-15H,5H2,1-4H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7295044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).