3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide

C16H15ClN2O5 — CID 26576594

IUPAC3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN2O5/c1-9-4-5-11(19(21)22)8-13(9)18-16(20)10-6-12(17)15(24-3)14(7-10)23-2/h4-8H,1-3H3,(H,18,20)
InChIKeyBLYIHYSUZRQHJX-UHFFFAOYSA-N
MW350.76 g/mol
LogP3.83
Rot. Bonds5

About 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide

3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 26576594) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID26576594
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OC
InChIInChI=1S/C16H15ClN2O5/c1-9-4-5-11(19(21)22)8-13(9)18-16(20)10-6-12(17)15(24-3)14(7-10)23-2/h4-8H,1-3H3,(H,18,20)
InChIKeyBLYIHYSUZRQHJX-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-butoxy-3,5-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 18848350
3-chloro-4,5-dimethoxy-N-[2-methyl-5-(methylcarbamoyl)phenyl]benzamide
CID 39133027
6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 122144447
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499754
3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
CID 2977495
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide (CID 26576594) is 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide is COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is BLYIHYSUZRQHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-9-4-5-11(19(21)22)8-13(9)18-16(20)10-6-12(17)15(24-3)14(7-10)23-2/h4-8H,1-3H3,(H,18,20).
What are the key properties of 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide 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 3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 26576594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).