N-benzyl-4-chloro-2-nitrobenzamide

C14H11ClN2O3 — CID 789173

IUPACN-benzyl-4-chloro-2-nitrobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c15-11-6-7-12(13(8-11)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyRJJVFCLRUMMJCK-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.18
Rot. Bonds4

About N-benzyl-4-chloro-2-nitrobenzamide

N-benzyl-4-chloro-2-nitrobenzamide (PubChem CID 789173) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-benzyl-4-chloro-2-nitrobenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-2-nitrobenzamide
PubChem CID789173
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-benzyl-4-chloro-2-nitrobenzamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c15-11-6-7-12(13(8-11)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyRJJVFCLRUMMJCK-UHFFFAOYSA-N
XLogP3.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-4-chloro-2-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

2-amino-N-(3-chlorophenyl)benzamide
CID 720859
2-nitro-N-(2-phenylethyl)benzamide
CID 720792
2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
N-tert-butyl-5-chloro-2-nitrobenzamide
CID 895967
N,N-dibutyl-5-chloro-2-nitrobenzamide
CID 1741603
4-chloro-N,N-dimethyl-2-nitrobenzamide
CID 789186
N-benzyl-2-nitrobenzamide
CID 675871
N-isopropyl-2-nitrobenzamide
CID 738244
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-nitrobenzamide
CID 14783866
N-benzyl-4-chloro-N-ethyl-2-nitrobenzamide
CID 789142
(E)-N-[(2-chlorophenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2418253

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-2-nitrobenzamide?
The IUPAC name of N-benzyl-4-chloro-2-nitrobenzamide (CID 789173) is N-benzyl-4-chloro-2-nitrobenzamide.
What is the SMILES notation for N-benzyl-4-chloro-2-nitrobenzamide?
The canonical SMILES for N-benzyl-4-chloro-2-nitrobenzamide is O=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-4-chloro-2-nitrobenzamide?
The InChIKey is RJJVFCLRUMMJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-6-7-12(13(8-11)17(19)20)14(18)16-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18).
What are the key properties of N-benzyl-4-chloro-2-nitrobenzamide?
N-benzyl-4-chloro-2-nitrobenzamide has a molecular weight of 290.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-2-nitrobenzamide is sourced from PubChem (CID 789173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).