3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide

C21H25ClN2O2 — CID 113128043

IUPAC3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-14(2)18-7-5-6-8-20(18)23-21(26)11-12-24(16(4)25)17-10-9-15(3)19(22)13-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyAMXWXAAPXDPZOK-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.15
Rot. Bonds6

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

3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113128043) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113128043
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1ccc(C)c(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-14(2)18-7-5-6-8-20(18)23-21(26)11-12-24(16(4)25)17-10-9-15(3)19(22)13-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyAMXWXAAPXDPZOK-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-(N-acetyl-3,5-dichloroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113134122
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 113131897
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
3-(N-acetyl-3-chloro-4-methylanilino)-N-(3-methylbutyl)propanamide
CID 113128018
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577
3-(N-acetyl-3-chloro-4-methylanilino)-N-(4-acetylphenyl)propanamide
CID 113128077
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide (CID 113128043) is 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)C)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is AMXWXAAPXDPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14(2)18-7-5-6-8-20(18)23-21(26)11-12-24(16(4)25)17-10-9-15(3)19(22)13-17/h5-10,13-14H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide?
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 372.90 g/mol, XLogP of 5.15, 6 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-4-methylanilino)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113128043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).