N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide

C14H10ClN3O5 — CID 134120931

IUPACN-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O5/c1-8-2-5-12(17(20)21)10(6-8)14(19)16-11-4-3-9(15)7-13(11)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyNAYPBZQXQWJBGT-UHFFFAOYSA-N
MW335.70 g/mol
LogP3.72
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide

N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide (PubChem CID 134120931) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
PubChem CID134120931
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC NameN-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O5/c1-8-2-5-12(17(20)21)10(6-8)14(19)16-11-4-3-9(15)7-13(11)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyNAYPBZQXQWJBGT-UHFFFAOYSA-N
XLogP3.72
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 2949905
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
N-(2-fluoro-4-methylphenyl)-2-nitrobenzamide
CID 26522920
N-[2-(chloromethyl)phenyl]-5-methyl-2-nitrobenzamide
CID 114298317
5-amino-N-(2-fluoro-5-methylphenyl)-2-nitrobenzamide
CID 62156286
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
CID 103097829
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide (CID 134120931) is N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide?
The InChIKey is NAYPBZQXQWJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c1-8-2-5-12(17(20)21)10(6-8)14(19)16-11-4-3-9(15)7-13(11)18(22)23/h2-7H,1H3,(H,16,19).
What are the key properties of N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide?
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide has a molecular weight of 335.70 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide is sourced from PubChem (CID 134120931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).