2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide

C14H12ClN3O3 — CID 82865772

IUPAC2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-12(16)10(6-8)14(19)17-9-3-5-13(18(20)21)11(15)7-9/h2-7H,16H2,1H3,(H,17,19)
InChIKeyQBRYSPCBPIPKOA-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide

2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide (PubChem CID 82865772) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
PubChem CID82865772
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-12(16)10(6-8)14(19)17-9-3-5-13(18(20)21)11(15)7-9/h2-7H,16H2,1H3,(H,17,19)
InChIKeyQBRYSPCBPIPKOA-UHFFFAOYSA-N
XLogP3.39
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
N-(3-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81110900
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
N-(4-bromo-3-chlorophenyl)-2-methyl-3,5-dinitrobenzamide
CID 17256775
2-amino-5-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 28517056

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide (CID 82865772) is 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide?
The InChIKey is QBRYSPCBPIPKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-2-4-12(16)10(6-8)14(19)17-9-3-5-13(18(20)21)11(15)7-9/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide?
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide has a molecular weight of 305.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide is sourced from PubChem (CID 82865772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).