5-chloro-2-(4-methyl-3-nitroanilino)benzamide

C14H12ClN3O3 — CID 141087466

IUPAC5-chloro-2-(4-methyl-3-nitroanilino)benzamide
SMILESCc1ccc(Nc2ccc(Cl)cc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-10(7-13(8)18(20)21)17-12-5-3-9(15)6-11(12)14(16)19/h2-7,17H,1H3,(H2,16,19)
InChIKeyRQGIJFRHHVFRBQ-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.40
Rot. Bonds4

About 5-chloro-2-(4-methyl-3-nitroanilino)benzamide

5-chloro-2-(4-methyl-3-nitroanilino)benzamide (PubChem CID 141087466) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-chloro-2-(4-methyl-3-nitroanilino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(4-methyl-3-nitroanilino)benzamide
PubChem CID141087466
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-chloro-2-(4-methyl-3-nitroanilino)benzamide
SMILESCc1ccc(Nc2ccc(Cl)cc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H12ClN3O3/c1-8-2-4-10(7-13(8)18(20)21)17-12-5-3-9(15)6-11(12)14(16)19/h2-7,17H,1H3,(H2,16,19)
InChIKeyRQGIJFRHHVFRBQ-UHFFFAOYSA-N
XLogP3.40
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.40
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

5-chloro-2-(4-methyl-3-nitroanilino)benzonitrile
CID 62492719
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
4-(3,4-dimethylanilino)-3-nitrobenzamide
CID 4876320
5-chloro-2-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 45433922
2-fluoro-4-(4-methyl-3-nitroanilino)benzoic acid
CID 107793349
N-(4-chloro-2-methylphenyl)-3-iodo-4-nitroaniline
CID 114256275
3-chloro-4-(4-methyl-3-nitroanilino)benzonitrile
CID 63089030
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2505075
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
5-chloro-2-[3-(dimethylamino)-4-methylanilino]benzenecarbothioamide
CID 115377728

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methyl-3-nitroanilino)benzamide?
The IUPAC name of 5-chloro-2-(4-methyl-3-nitroanilino)benzamide (CID 141087466) is 5-chloro-2-(4-methyl-3-nitroanilino)benzamide.
What is the SMILES notation for 5-chloro-2-(4-methyl-3-nitroanilino)benzamide?
The canonical SMILES for 5-chloro-2-(4-methyl-3-nitroanilino)benzamide is Cc1ccc(Nc2ccc(Cl)cc2C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-(4-methyl-3-nitroanilino)benzamide?
The InChIKey is RQGIJFRHHVFRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-2-4-10(7-13(8)18(20)21)17-12-5-3-9(15)6-11(12)14(16)19/h2-7,17H,1H3,(H2,16,19).
What are the key properties of 5-chloro-2-(4-methyl-3-nitroanilino)benzamide?
5-chloro-2-(4-methyl-3-nitroanilino)benzamide has a molecular weight of 305.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methyl-3-nitroanilino)benzamide is sourced from PubChem (CID 141087466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).