N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide

C15H13ClN2O5 — CID 119050993

IUPACN-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide
SMILESCOc1ccc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O5/c1-17(9-6-7-13(23-2)11(16)8-9)15(20)10-4-3-5-12(19)14(10)18(21)22/h3-8,19H,1-2H3
InChIKeyQGGVTCADHXRPOA-UHFFFAOYSA-N
MW336.73 g/mol
LogP3.24
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide

N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide (PubChem CID 119050993) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide
PubChem CID119050993
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide
SMILESCOc1ccc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H13ClN2O5/c1-17(9-6-7-13(23-2)11(16)8-9)15(20)10-4-3-5-12(19)14(10)18(21)22/h3-8,19H,1-2H3
InChIKeyQGGVTCADHXRPOA-UHFFFAOYSA-N
XLogP3.24
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 53.24
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

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
5-chloro-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 28739149
4-chloro-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzamide
CID 107735909
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
CID 71920410
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 99714138
N-(4-hydroxyphenyl)-N,2-dimethyl-3-nitrobenzamide
CID 28739109
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide (CID 119050993) is N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide is COc1ccc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide?
The InChIKey is QGGVTCADHXRPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-17(9-6-7-13(23-2)11(16)8-9)15(20)10-4-3-5-12(19)14(10)18(21)22/h3-8,19H,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide?
N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide has a molecular weight of 336.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide is sourced from PubChem (CID 119050993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).