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

C15H13ClN2O3 — CID 867680

IUPACN-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-11(7-10(9)2)15(19)17-14-8-12(18(20)21)5-6-13(14)16/h3-8H,1-2H3,(H,17,19)
InChIKeyLPADFNUVAQBAIY-UHFFFAOYSA-N
MW304.73 g/mol
LogP4.12
Rot. Bonds3

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

N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide (PubChem CID 867680) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
PubChem CID867680
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C
InChIInChI=1S/C15H13ClN2O3/c1-9-3-4-11(7-10(9)2)15(19)17-14-8-12(18(20)21)5-6-13(14)16/h3-8H,1-2H3,(H,17,19)
InChIKeyLPADFNUVAQBAIY-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

3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-(2-chloro-5-nitrophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062807
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide (CID 867680) is N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide?
The InChIKey is LPADFNUVAQBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9-3-4-11(7-10(9)2)15(19)17-14-8-12(18(20)21)5-6-13(14)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide?
N-(2-chloro-5-nitrophenyl)-3,4-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-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 867680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).