N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide

C17H17ClN2O3 — CID 26686342

IUPACN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O3/c1-11-9-12(18)7-8-14(11)20-16(21)10-19-17(22)13-5-3-4-6-15(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAAVBPJITQSAEMV-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide

N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide (PubChem CID 26686342) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
PubChem CID26686342
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H17ClN2O3/c1-11-9-12(18)7-8-14(11)20-16(21)10-19-17(22)13-5-3-4-6-15(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAAVBPJITQSAEMV-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955228
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide (CID 26686342) is N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is AAVBPJITQSAEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-9-12(18)7-8-14(11)20-16(21)10-19-17(22)13-5-3-4-6-15(13)23-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide?
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 332.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 26686342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).