5-chloro-N-(2-methylphenyl)-2-nitrobenzamide

C14H11ClN2O3 — CID 2599162

IUPAC5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-4-2-3-5-12(9)16-14(18)11-8-10(15)6-7-13(11)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyGZUCEFNDIJFVGW-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.81
Rot. Bonds3

About 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide

5-chloro-N-(2-methylphenyl)-2-nitrobenzamide (PubChem CID 2599162) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
PubChem CID2599162
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
SMILESCc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClN2O3/c1-9-4-2-3-5-12(9)16-14(18)11-8-10(15)6-7-13(11)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyGZUCEFNDIJFVGW-UHFFFAOYSA-N
XLogP3.81
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.81
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

5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
CID 8005539
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
5-chloro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
CID 4654719
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-nitrobenzamide
CID 112794669
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
N-(2,3-dimethylphenyl)-5-hydroxy-2-nitrobenzamide
CID 102740891
N-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)sulfonylbenzamide
CID 126188766

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide (CID 2599162) is 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide is Cc1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide?
The InChIKey is GZUCEFNDIJFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-9-4-2-3-5-12(9)16-14(18)11-8-10(15)6-7-13(11)17(19)20/h2-8H,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide?
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide has a molecular weight of 290.71 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 2599162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).