N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide

C17H17ClN2O3 — CID 110762997

IUPACN-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-10-7-12(18)8-15(16(10)23-3)17(22)20-14-6-4-5-13(9-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyMCFKYJKIZDBWSW-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.87
Rot. Bonds4

About N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide

N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide (PubChem CID 110762997) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
PubChem CID110762997
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-10-7-12(18)8-15(16(10)23-3)17(22)20-14-6-4-5-13(9-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyMCFKYJKIZDBWSW-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-methoxy-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 22778984
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
5-chloro-2-methoxy-3-methyl-N-pyrimidin-2-ylbenzamide
CID 110763000
3,5-dichloro-N-(3-fluorophenyl)-2-methoxybenzamide
CID 17102002
N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 4569821
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
CID 22561455

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide (CID 110762997) is N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide is COc1c(C)cc(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide?
The InChIKey is MCFKYJKIZDBWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-10-7-12(18)8-15(16(10)23-3)17(22)20-14-6-4-5-13(9-14)19-11(2)21/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide?
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide has a molecular weight of 332.79 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 110762997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).