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

C14H10ClN3O5 — CID 22238135

IUPAC3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O5/c1-8-5-6-9(17(20)21)7-12(8)16-14(19)10-3-2-4-11(15)13(10)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyLCTGKSUGMUATHE-UHFFFAOYSA-N
MW335.70 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide

3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide (PubChem CID 22238135) has the molecular formula C14H10ClN3O5 and a molecular weight of 335.70 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
PubChem CID22238135
Molecular FormulaC14H10ClN3O5
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC Name3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O5/c1-8-5-6-9(17(20)21)7-12(8)16-14(19)10-3-2-4-11(15)13(10)18(22)23/h2-7H,1H3,(H,16,19)
InChIKeyLCTGKSUGMUATHE-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

2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 55876008
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
3-chloro-N-(2,6-dichlorophenyl)-2-nitrobenzamide
CID 115541090
3-chloro-N-(2-methylsulfanylphenyl)-2-nitrobenzamide
CID 79836155
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
3-chloro-N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-2-nitrobenzamide
CID 22291023
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
CID 5070149

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide (CID 22238135) is 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide?
The InChIKey is LCTGKSUGMUATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O5/c1-8-5-6-9(17(20)21)7-12(8)16-14(19)10-3-2-4-11(15)13(10)18(22)23/h2-7H,1H3,(H,16,19).
What are the key properties of 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide?
3-chloro-N-(2-methyl-5-nitrophenyl)-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 3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide is sourced from PubChem (CID 22238135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).