N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

C21H19N3O4 — CID 24628897

IUPACN-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(25)23-17-8-4-15(5-9-17)13-22-20(26)16-6-10-18(11-7-16)24-21(27)19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyKCVHHVOLVZGUAE-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 24628897) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID24628897
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(25)23-17-8-4-15(5-9-17)13-22-20(26)16-6-10-18(11-7-16)24-21(27)19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyKCVHHVOLVZGUAE-UHFFFAOYSA-N
XLogP3.42
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
N-[4-[[[4-(2-phenylethynyl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24618603
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 976453
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42018045
N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55845140
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[4-[[(3,5-dinitrobenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017854
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
1-acetyl-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 34499300

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 24628897) is N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is CC(=O)Nc1ccc(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KCVHHVOLVZGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(25)23-17-8-4-15(5-9-17)13-22-20(26)16-6-10-18(11-7-16)24-21(27)19-3-2-12-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 24628897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).