3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide

C19H21ClN2O3 — CID 113128809

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(C)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-13-8-9-15(12-16(13)20)21-19(24)10-11-22(14(2)23)17-6-4-5-7-18(17)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeySWIOUXMAVZPMKP-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.04
Rot. Bonds6

About 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 113128809) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID113128809
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)Nc1ccc(C)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-13-8-9-15(12-16(13)20)21-19(24)10-11-22(14(2)23)17-6-4-5-7-18(17)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeySWIOUXMAVZPMKP-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-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
3-(N-acetyl-5-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113127759
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113129632
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
methyl 3-[acetyl-[3-(3-chloro-4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131424
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide (CID 113128809) is 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide is COc1ccccc1N(CCC(=O)Nc1ccc(C)c(Cl)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is SWIOUXMAVZPMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-13-8-9-15(12-16(13)20)21-19(24)10-11-22(14(2)23)17-6-4-5-7-18(17)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)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-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 113128809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).