N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide

C15H14ClN3O3 — CID 16963040

IUPACN-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H14ClN3O3/c1-9-7-10(16)3-5-13(9)18-15(20)12-8-11(19(21)22)4-6-14(12)17-2/h3-8,17H,1-2H3,(H,18,20)
InChIKeySGXRMHUXFHKWQU-UHFFFAOYSA-N
MW319.75 g/mol
LogP3.85
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide

N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 16963040) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
PubChem CID16963040
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C15H14ClN3O3/c1-9-7-10(16)3-5-13(9)18-15(20)12-8-11(19(21)22)4-6-14(12)17-2/h3-8,17H,1-2H3,(H,18,20)
InChIKeySGXRMHUXFHKWQU-UHFFFAOYSA-N
XLogP3.85
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 53.85
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'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
5-chloro-2-(methylamino)-N-(3-nitrophenyl)benzamide
CID 62166987
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
2-bromo-N-(2-bromo-4-chlorophenyl)-5-nitrobenzamide
CID 81027167
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963347

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide (CID 16963040) is N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is SGXRMHUXFHKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-7-10(16)3-5-13(9)18-15(20)12-8-11(19(21)22)4-6-14(12)17-2/h3-8,17H,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide?
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 319.75 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).