4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide

C16H15ClN2O5 — CID 26877061

IUPAC4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15ClN2O5/c1-9-6-14(23-2)15(24-3)8-12(9)18-16(20)11-5-4-10(17)7-13(11)19(21)22/h4-8H,1-3H3,(H,18,20)
InChIKeyZAWMLZCHPKEOKA-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.83
Rot. Bonds5

About 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide

4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide (PubChem CID 26877061) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
PubChem CID26877061
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C16H15ClN2O5/c1-9-6-14(23-2)15(24-3)8-12(9)18-16(20)11-5-4-10(17)7-13(11)19(21)22/h4-8H,1-3H3,(H,18,20)
InChIKeyZAWMLZCHPKEOKA-UHFFFAOYSA-N
XLogP3.83
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.83
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

4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(5-acetamido-2-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 17424735
4-chloro-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 697216
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-nitrobenzamide
CID 35366721
4-chloro-N-(3-hydroxy-4-methylphenyl)-2-nitrobenzamide
CID 64793088
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxybenzamide
CID 2910232
N-(4-chloro-2-fluorophenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 18200168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide (CID 26877061) is 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide is COc1cc(C)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide?
The InChIKey is ZAWMLZCHPKEOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-9-6-14(23-2)15(24-3)8-12(9)18-16(20)11-5-4-10(17)7-13(11)19(21)22/h4-8H,1-3H3,(H,18,20).
What are the key properties of 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide?
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide has a molecular weight of 350.76 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 26877061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).