5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide

C19H15ClN2O3 — CID 22587861

IUPAC5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H15ClN2O3/c20-14-7-4-8-15(11-14)22-19(24)17-10-9-16(25-17)12-21-18(23)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyIYOZDMNTILBZDS-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.12
Rot. Bonds5

About 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide

5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide (PubChem CID 22587861) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
PubChem CID22587861
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
SMILESO=C(NCc1ccc(C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1
InChIInChI=1S/C19H15ClN2O3/c20-14-7-4-8-15(11-14)22-19(24)17-10-9-16(25-17)12-21-18(23)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyIYOZDMNTILBZDS-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
5-[[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466586
5-[[[3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]methyl]furan-2-carboxylic acid
CID 129466587
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46410027
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716

Frequently Asked Questions

What is the IUPAC name of 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide (CID 22587861) is 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide is O=C(NCc1ccc(C(=O)Nc2cccc(Cl)c2)o1)c1ccccc1.
What is the InChIKey of 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide?
The InChIKey is IYOZDMNTILBZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-7-4-8-15(11-14)22-19(24)17-10-9-16(25-17)12-21-18(23)13-5-2-1-3-6-13/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide?
5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 22587861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).