3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide

C19H21ClN2O3 — CID 113127915

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13-12-15(20)4-9-18(13)22(14(2)23)11-10-19(24)21-16-5-7-17(25-3)8-6-16/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyWDDAKETXACLLOO-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.04
Rot. Bonds6

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113127915) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113127915
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C19H21ClN2O3/c1-13-12-15(20)4-9-18(13)22(14(2)23)11-10-19(24)21-16-5-7-17(25-3)8-6-16/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyWDDAKETXACLLOO-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938
N-(4-acetamidophenyl)-3-(N-acetyl-5-chloro-2-methylanilino)propanamide
CID 113127781
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide (CID 113127915) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is WDDAKETXACLLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-12-15(20)4-9-18(13)22(14(2)23)11-10-19(24)21-16-5-7-17(25-3)8-6-16/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 360.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113127915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).