2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide

C19H21ClN2O3 — CID 113174052

IUPAC2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-13-4-9-18(25-3)17(10-13)22(14(2)23)12-19(24)21-11-15-5-7-16(20)8-6-15/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyYMJPKXZZJDOOCV-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.33
Rot. Bonds6

About 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide

2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 113174052) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID113174052
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-13-4-9-18(25-3)17(10-13)22(14(2)23)12-19(24)21-11-15-5-7-16(20)8-6-15/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyYMJPKXZZJDOOCV-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174845
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174178
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113174544
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113174030
N-[(4-chlorophenyl)methyl]-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1338540

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide (CID 113174052) is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide is COc1ccc(C)cc1N(CC(=O)NCc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is YMJPKXZZJDOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-4-9-18(25-3)17(10-13)22(14(2)23)12-19(24)21-11-15-5-7-16(20)8-6-15/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide?
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 360.84 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113174052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).