N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide

C18H12ClN3O5 — CID 3117355

IUPACN-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O5/c19-12-3-1-2-11(10-12)17(23)20-13-4-6-14(7-5-13)21-18(24)15-8-9-16(27-15)22(25)26/h1-10H,(H,20,23)(H,21,24)
InChIKeyUEIUKEJNUPDHKZ-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.35
Rot. Bonds5

About N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 3117355) has the molecular formula C18H12ClN3O5 and a molecular weight of 385.76 g/mol. Its IUPAC name is N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID3117355
Molecular FormulaC18H12ClN3O5
Molecular Weight385.76 g/mol
Exact Mass385.05
IUPAC NameN-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O5/c19-12-3-1-2-11(10-12)17(23)20-13-4-6-14(7-5-13)21-18(24)15-8-9-16(27-15)22(25)26/h1-10H,(H,20,23)(H,21,24)
InChIKeyUEIUKEJNUPDHKZ-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-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(4-anilinophenyl)-5-nitrofuran-2-carboxamide
CID 17146584
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 35117079
ethane;5-nitro-N-phenylfuran-2-carboxamide
CID 145187045
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789500
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[3-(2-methylpropylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155681472
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818
N-[3-(diethylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 51148651
N-[3-(cyclohexylcarbamoyl)phenyl]-5-nitrofuran-2-carboxamide
CID 155412684

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide (CID 3117355) is N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is UEIUKEJNUPDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O5/c19-12-3-1-2-11(10-12)17(23)20-13-4-6-14(7-5-13)21-18(24)15-8-9-16(27-15)22(25)26/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-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-[(3-chlorobenzoyl)amino]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3117355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).