4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide

C22H19ClN2O2 — CID 42790763

IUPAC4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3occc3n2Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-6-7-18(10-15(14)2)24-22(26)20-12-21-19(8-9-27-21)25(20)13-16-4-3-5-17(23)11-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyOVWNVIMJDBUBAV-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.81
Rot. Bonds4

About 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42790763) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42790763
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Name4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3occc3n2Cc2cccc(Cl)c2)cc1C
InChIInChI=1S/C22H19ClN2O2/c1-14-6-7-18(10-15(14)2)24-22(26)20-12-21-19(8-9-27-21)25(20)13-16-4-3-5-17(23)11-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyOVWNVIMJDBUBAV-UHFFFAOYSA-N
XLogP5.81
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
N-(3,4-dimethylphenyl)-4-(oxan-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792525
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42790770
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077230
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
CID 46365084
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42790763) is 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1ccc(NC(=O)c2cc3occc3n2Cc2cccc(Cl)c2)cc1C.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OVWNVIMJDBUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-14-6-7-18(10-15(14)2)24-22(26)20-12-21-19(8-9-27-21)25(20)13-16-4-3-5-17(23)11-16/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42790763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).