N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide

C14H10ClN3O4 — CID 71412019

IUPACN-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
SMILESO=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-10-3-5-11(6-4-10)16-14(20)17-13(19)9-1-7-12(8-2-9)18(21)22/h1-8H,(H2,16,17,19,20)
InChIKeyGBJQEBIOYMHTCP-UHFFFAOYSA-N
MW319.70 g/mol
LogP3.21
Rot. Bonds3

About N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide

N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide (PubChem CID 71412019) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
PubChem CID71412019
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
SMILESO=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4/c15-10-3-5-11(6-4-10)16-14(20)17-13(19)9-1-7-12(8-2-9)18(21)22/h1-8H,(H2,16,17,19,20)
InChIKeyGBJQEBIOYMHTCP-UHFFFAOYSA-N
XLogP3.21
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118
1-(4-chlorophenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 134114974
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
CID 18531718
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-[(4-hydroxyphenyl)carbamothioyl]-4-nitrobenzamide
CID 3470805
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]-4-nitrobenzamide
CID 134159674
N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
CID 2303956
N-[[4-(hydrazinecarbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
CID 10043987
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide (CID 71412019) is N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide is O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide?
The InChIKey is GBJQEBIOYMHTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c15-10-3-5-11(6-4-10)16-14(20)17-13(19)9-1-7-12(8-2-9)18(21)22/h1-8H,(H2,16,17,19,20).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide?
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide has a molecular weight of 319.70 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide is sourced from PubChem (CID 71412019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).