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

C15H13ClN2O4 — CID 2268452

IUPACN-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c1-9-3-5-11(16)8-12(9)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyMUUZVNOXCYGOTK-UHFFFAOYSA-N
MW320.73 g/mol
LogP3.82
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide (PubChem CID 2268452) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
PubChem CID2268452
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC NameN-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O4/c1-9-3-5-11(16)8-12(9)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChIKeyMUUZVNOXCYGOTK-UHFFFAOYSA-N
XLogP3.82
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 53.82
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-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
N-[5-chloro-2-[(3-methoxyphenyl)methoxy]phenyl]-4-methoxy-3-nitrobenzamide
CID 132816125
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
4,5-dimethoxy-2-[(4-methoxy-3-nitrobenzoyl)amino]benzoic acid
CID 1260419
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
methyl 3-[(5-chloro-2-methylphenyl)carbamoyl]-5-nitrobenzoate
CID 740228

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide (CID 2268452) is N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide is COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide?
The InChIKey is MUUZVNOXCYGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-9-3-5-11(16)8-12(9)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide?
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide has a molecular weight of 320.73 g/mol, XLogP of 3.82, 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-methylphenyl)-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 2268452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).