N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

C19H21ClN2O2 — CID 109038923

IUPACN-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-9-13(2)19(17(20)10-12)21-8-7-18(24)22-16-6-4-5-15(11-16)14(3)23/h4-6,9-11,21H,7-8H2,1-3H3,(H,22,24)
InChIKeyLRNYJLITUCDVQK-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.60
Rot. Bonds6

About N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide

N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (PubChem CID 109038923) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
PubChem CID109038923
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)c1
InChIInChI=1S/C19H21ClN2O2/c1-12-9-13(2)19(17(20)10-12)21-8-7-18(24)22-16-6-4-5-15(11-16)14(3)23/h4-6,9-11,21H,7-8H2,1-3H3,(H,22,24)
InChIKeyLRNYJLITUCDVQK-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
N-(2-bromophenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038935
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202
1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2638255

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide (CID 109038923) is N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is CC(=O)c1cccc(NC(=O)CCNc2c(C)cc(C)cc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
The InChIKey is LRNYJLITUCDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-9-13(2)19(17(20)10-12)21-8-7-18(24)22-16-6-4-5-15(11-16)14(3)23/h4-6,9-11,21H,7-8H2,1-3H3,(H,22,24).
What are the key properties of N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide?
N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide is sourced from PubChem (CID 109038923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).