N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide

C15H13ClN2O3 — CID 55363553

IUPACN-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-10(2)12(7-9)15(19)17-11-5-6-13(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyDRKPIZIIHVJIEQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.12
Rot. Bonds3

About N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide

N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide (PubChem CID 55363553) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
PubChem CID55363553
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-10(2)12(7-9)15(19)17-11-5-6-13(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyDRKPIZIIHVJIEQ-UHFFFAOYSA-N
XLogP4.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 54.12
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

2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
4-chloro-N-[3-[(2-methylbenzoyl)amino]phenyl]-3-nitrobenzamide
CID 1365570
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide (CID 55363553) is N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide?
The InChIKey is DRKPIZIIHVJIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-3-4-10(2)12(7-9)15(19)17-11-5-6-13(16)14(8-11)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide?
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide has a molecular weight of 304.73 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 55363553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).