N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

C18H13N3O5 — CID 1333464

IUPACN-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N3O5/c22-17(12-6-8-15(9-7-12)21(24)25)19-13-3-1-4-14(11-13)20-18(23)16-5-2-10-26-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyGZNCMWBKSPZEFS-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.69
Rot. Bonds5

About N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1333464) has the molecular formula C18H13N3O5 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1333464
Molecular FormulaC18H13N3O5
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H13N3O5/c22-17(12-6-8-15(9-7-12)21(24)25)19-13-3-1-4-14(11-13)20-18(23)16-5-2-10-26-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyGZNCMWBKSPZEFS-UHFFFAOYSA-N
XLogP3.69
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-nitroanilino)methyl]phenyl]furan-2-carboxamide
CID 32878628
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-[3-[(2-bromo-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 15993765
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[3-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl]furan-2-carboxamide
CID 17148146
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-(3-fluoro-5-nitrophenyl)furan-2-carboxamide
CID 107335365
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide (CID 1333464) is N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is GZNCMWBKSPZEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O5/c22-17(12-6-8-15(9-7-12)21(24)25)19-13-3-1-4-14(11-13)20-18(23)16-5-2-10-26-16/h1-11H,(H,19,22)(H,20,23).
What are the key properties of N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1333464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).