N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide

C25H19N3O4 — CID 55934006

IUPACN-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C25H19N3O4/c29-23(17-8-2-1-3-9-17)27-20-12-4-5-13-21(20)28-24(30)18-10-6-11-19(16-18)26-25(31)22-14-7-15-32-22/h1-16H,(H,26,31)(H,27,29)(H,28,30)
InChIKeyPNHJTIZJBYGAOT-UHFFFAOYSA-N
MW425.44 g/mol
LogP5.04
Rot. Bonds6

About N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55934006) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55934006
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC NameN-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1
InChIInChI=1S/C25H19N3O4/c29-23(17-8-2-1-3-9-17)27-20-12-4-5-13-21(20)28-24(30)18-10-6-11-19(16-18)26-25(31)22-14-7-15-32-22/h1-16H,(H,26,31)(H,27,29)(H,28,30)
InChIKeyPNHJTIZJBYGAOT-UHFFFAOYSA-N
XLogP5.04
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873277
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 71906453
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55934006) is N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is PNHJTIZJBYGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c29-23(17-8-2-1-3-9-17)27-20-12-4-5-13-21(20)28-24(30)18-10-6-11-19(16-18)26-25(31)22-14-7-15-32-22/h1-16H,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 425.44 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55934006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).