5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C24H21ClN2O3 — CID 7230397

IUPAC5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCc2ccco2)c1C
InChIInChI=1S/C24H21ClN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-22(17-9-11-18(25)12-10-17)27(16)21-7-3-4-8-23(21)29-2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyBTCIAKDDZWJASW-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.64
Rot. Bonds6

About 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide

5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7230397) has the molecular formula C24H21ClN2O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID7230397
Molecular FormulaC24H21ClN2O3
Molecular Weight420.90 g/mol
Exact Mass420.12
IUPAC Name5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCc2ccco2)c1C
InChIInChI=1S/C24H21ClN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-22(17-9-11-18(25)12-10-17)27(16)21-7-3-4-8-23(21)29-2/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyBTCIAKDDZWJASW-UHFFFAOYSA-N
XLogP5.64
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7306819
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 46126596
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
[5-(4-chlorophenyl)-1-(2-methoxyphenyl)-2-methylpyrrol-3-yl]-piperidin-1-ylmethanone
CID 7213262
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-benzyl-5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 7307072
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-chlorophenyl)-1-(3-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 42785674

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 7230397) is 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is COc1ccccc1-n1c(-c2ccc(Cl)cc2)cc(C(=O)NCc2ccco2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is BTCIAKDDZWJASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-22(17-9-11-18(25)12-10-17)27(16)21-7-3-4-8-23(21)29-2/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7230397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).