N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide

C16H15ClN2O4 — CID 17102198

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15ClN2O4/c1-9-5-4-6-11(15(9)23-3)16(20)18-13-8-12(17)14(19(21)22)7-10(13)2/h4-8H,1-3H3,(H,18,20)
InChIKeyFITXJBQYFSBRPQ-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.13
Rot. Bonds4

About N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide

N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide (PubChem CID 17102198) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
PubChem CID17102198
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C
InChIInChI=1S/C16H15ClN2O4/c1-9-5-4-6-11(15(9)23-3)16(20)18-13-8-12(17)14(19(21)22)7-10(13)2/h4-8H,1-3H3,(H,18,20)
InChIKeyFITXJBQYFSBRPQ-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'}

Analyze N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
CID 104668259
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-2-fluorobenzamide;N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 158719874
2-chloro-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-5-iodobenzamide
CID 17115403
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358480
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide (CID 17102198) is N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide is COc1c(C)cccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide?
The InChIKey is FITXJBQYFSBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-9-5-4-6-11(15(9)23-3)16(20)18-13-8-12(17)14(19(21)22)7-10(13)2/h4-8H,1-3H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide 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-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 17102198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).