N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide

C18H12ClN3O5 — CID 17359174

IUPACN-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H12ClN3O5/c19-14-8-7-13(22(25)26)10-15(14)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10H,(H,20,24)(H,21,23)
InChIKeyZVXRNBASFVJBLY-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.35
Rot. Bonds5

About N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17359174) has the molecular formula C18H12ClN3O5 and a molecular weight of 385.76 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID17359174
Molecular FormulaC18H12ClN3O5
Molecular Weight385.76 g/mol
Exact Mass385.05
IUPAC NameN-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H12ClN3O5/c19-14-8-7-13(22(25)26)10-15(14)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10H,(H,20,24)(H,21,23)
InChIKeyZVXRNBASFVJBLY-UHFFFAOYSA-N
XLogP4.35
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.35
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-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-[4-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 46461915
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-[4-methyl-3-[(3-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 17313945
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-(3-benzamido-4-chlorophenyl)-3-nitrobenzamide
CID 4620848

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 17359174) is N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZVXRNBASFVJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O5/c19-14-8-7-13(22(25)26)10-15(14)21-17(23)11-3-5-12(6-4-11)20-18(24)16-2-1-9-27-16/h1-10H,(H,20,24)(H,21,23).
What are the key properties of N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 385.76 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17359174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).