N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide

C16H15ClN2O4 — CID 2668909

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O4/c1-9-4-5-11(7-14(9)19(21)22)16(20)18-13-6-10(2)12(17)8-15(13)23-3/h4-8H,1-3H3,(H,18,20)
InChIKeyKSRHZCDYTPZVGQ-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.13
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide (PubChem CID 2668909) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
PubChem CID2668909
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15ClN2O4/c1-9-4-5-11(7-14(9)19(21)22)16(20)18-13-6-10(2)12(17)8-15(13)23-3/h4-8H,1-3H3,(H,18,20)
InChIKeyKSRHZCDYTPZVGQ-UHFFFAOYSA-N
XLogP4.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
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

N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39044462
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
methyl 4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122355
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate
CID 42981020
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
2,4-dichloro-5-[(4-methyl-3-nitrobenzoyl)amino]benzoic acid
CID 28671342

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide (CID 2668909) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is KSRHZCDYTPZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-4-5-11(7-14(9)19(21)22)16(20)18-13-6-10(2)12(17)8-15(13)23-3/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 334.76 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 2668909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).