3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide

C20H23ClN2O2 — CID 113127834

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-14-5-4-6-17(11-14)13-22-20(25)9-10-23(16(3)24)19-8-7-18(21)12-15(19)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyKXYLCOQQTWABHZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.02
Rot. Bonds6

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 113127834) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID113127834
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C20H23ClN2O2/c1-14-5-4-6-17(11-14)13-22-20(25)9-10-23(16(3)24)19-8-7-18(21)12-15(19)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25)
InChIKeyKXYLCOQQTWABHZ-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-3,4-dichloroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113133753
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
methyl 2-[acetyl-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]amino]benzoate
CID 113131225
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
CID 113127866
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
2-(N-acetyl-4-chloro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 113172074

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide (CID 113127834) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1cccc(C)c1)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is KXYLCOQQTWABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-5-4-6-17(11-14)13-22-20(25)9-10-23(16(3)24)19-8-7-18(21)12-15(19)2/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113127834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).