2-chloro-5-nitro-N-phenylbenzamide

C13H9ClN2O3 — CID 644213

IUPAC2-chloro-5-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyDNTSIBUQMRRYIU-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.50
Rot. Bonds3

About 2-chloro-5-nitro-N-phenylbenzamide

2-chloro-5-nitro-N-phenylbenzamide (PubChem CID 644213) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-phenylbenzamide
PubChem CID644213
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-chloro-5-nitro-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyDNTSIBUQMRRYIU-UHFFFAOYSA-N
XLogP3.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.50
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'}

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Related Compounds

Benzamide, N-(4-chlorophenyl)-
CID 96646
4'-Nitrobenzanilide
CID 76930
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
N-(3,4-Dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 773731
2,2'-Dichlorobenzanilide
CID 221407
1-(2-Chloro-5-nitrobenzoyl)-4-phenylpiperazine
CID 710808
(2-Chloro-5-nitrophenyl)[4-(4-fluorophenyl)-1-piperazinyl]methanone
CID 1104888
2-Chloro-4'-nitrobenzanilide
CID 2787761
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
4-Chloro-M-benzotoluidide
CID 348519
4'-Fluoro-3-nitrobenzanilide
CID 765293
N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
CID 799096

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-phenylbenzamide?
The IUPAC name of 2-chloro-5-nitro-N-phenylbenzamide (CID 644213) is 2-chloro-5-nitro-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-phenylbenzamide?
The canonical SMILES for 2-chloro-5-nitro-N-phenylbenzamide is O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-phenylbenzamide?
The InChIKey is DNTSIBUQMRRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17).
What are the key properties of 2-chloro-5-nitro-N-phenylbenzamide?
2-chloro-5-nitro-N-phenylbenzamide has a molecular weight of 276.68 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-phenylbenzamide is sourced from PubChem (CID 644213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).