3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide

C21H25ClN2O2 — CID 113126328

IUPAC3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(C)cccc1C(C)C
InChIInChI=1S/C21H25ClN2O2/c1-14(2)19-10-5-7-15(3)21(19)24(16(4)25)12-11-20(26)23-18-9-6-8-17(22)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyROQOYLNLSIQYQD-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.15
Rot. Bonds6

About 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide

3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide (PubChem CID 113126328) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
PubChem CID113126328
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(C)cccc1C(C)C
InChIInChI=1S/C21H25ClN2O2/c1-14(2)19-10-5-7-15(3)21(19)24(16(4)25)12-11-20(26)23-18-9-6-8-17(22)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,23,26)
InChIKeyROQOYLNLSIQYQD-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

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
3-(N-acetyl-2,6-difluoroanilino)-N-(3-chlorophenyl)propanamide
CID 113135426
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-acetyl-2,6-dimethylanilino)-N-(4-chlorophenyl)propanamide
CID 113124917
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
CID 113154527
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170355
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113126259
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2-bromoanilino)-N-(3-chlorophenyl)propanamide
CID 113132588

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide (CID 113126328) is 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1)c1c(C)cccc1C(C)C.
What is the InChIKey of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
The InChIKey is ROQOYLNLSIQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-14(2)19-10-5-7-15(3)21(19)24(16(4)25)12-11-20(26)23-18-9-6-8-17(22)13-18/h5-10,13-14H,11-12H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide?
3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)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-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113126328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).