4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide

C16H14ClN3O5 — CID 54313561

IUPAC4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C16H14ClN3O5/c1-8-3-4-14(25-2)10(5-8)16(22)19-12-7-11(17)13(20(23)24)6-9(12)15(18)21/h3-7H,1-2H3,(H2,18,21)(H,19,22)
InChIKeySMOUMSNCJJQDBA-UHFFFAOYSA-N
MW363.76 g/mol
LogP2.92
Rot. Bonds5

About 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide

4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide (PubChem CID 54313561) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide
PubChem CID54313561
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide
SMILESCOc1ccc(C)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C16H14ClN3O5/c1-8-3-4-14(25-2)10(5-8)16(22)19-12-7-11(17)13(20(23)24)6-9(12)15(18)21/h3-7H,1-2H3,(H2,18,21)(H,19,22)
InChIKeySMOUMSNCJJQDBA-UHFFFAOYSA-N
XLogP2.92
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.92
H-Bond Donors ≤ 52
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

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
2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
CID 110317075
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
CID 5110983
N-(2-ethyl-4-nitrophenyl)-2-methoxy-5-methylbenzamide
CID 167080640
N-(5-chloro-2-methyl-4-nitrophenyl)-2-methoxy-3-methylbenzamide
CID 17102198
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide?
The IUPAC name of 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide (CID 54313561) is 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide.
What is the SMILES notation for 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide?
The canonical SMILES for 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide is COc1ccc(C)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide?
The InChIKey is SMOUMSNCJJQDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-8-3-4-14(25-2)10(5-8)16(22)19-12-7-11(17)13(20(23)24)6-9(12)15(18)21/h3-7H,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide?
4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide has a molecular weight of 363.76 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methoxy-5-methylbenzoyl)amino]-5-nitrobenzamide is sourced from PubChem (CID 54313561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).