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

C19H21ClN2O2 — CID 113127582

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN2O2/c1-13-7-9-16(10-8-13)21-19(24)11-12-22(15(3)23)18-6-4-5-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeySBDQZKAPRWLWMN-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.34
Rot. Bonds5

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

3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide (PubChem CID 113127582) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
PubChem CID113127582
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN2O2/c1-13-7-9-16(10-8-13)21-19(24)11-12-22(15(3)23)18-6-4-5-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeySBDQZKAPRWLWMN-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-fluorophenyl)propanamide
CID 113127603
3-(N-acetyl-3-chloro-2-methylanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127656
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127609
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113171770
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide (CID 113127582) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1)c1cccc(Cl)c1C.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide?
The InChIKey is SBDQZKAPRWLWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-7-9-16(10-8-13)21-19(24)11-12-22(15(3)23)18-6-4-5-17(20)14(18)2/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-2-methylanilino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 113127582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).