2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide

C19H21ClN2O4 — CID 113174845

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(16-8-9-17(25-2)18(10-16)26-3)12-19(24)21-11-14-4-6-15(20)7-5-14/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyPTTITUZAQOTVFS-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.03
Rot. Bonds7

About 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide

2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 113174845) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID113174845
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
SMILESCOc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)cc1OC
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(16-8-9-17(25-2)18(10-16)26-3)12-19(24)21-11-14-4-6-15(20)7-5-14/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyPTTITUZAQOTVFS-UHFFFAOYSA-N
XLogP3.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
methyl 3-[acetyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176223
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-[N-acetyl-4-(dimethylamino)anilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113176699

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide (CID 113174845) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide is COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)C(C)=O)cc1OC.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is PTTITUZAQOTVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(23)22(16-8-9-17(25-2)18(10-16)26-3)12-19(24)21-11-14-4-6-15(20)7-5-14/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113174845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).