N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide

C13H17ClN2O2 — CID 18149192

IUPACN-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-4-8(2)13(18)16-10-5-6-12(11(14)7-10)15-9(3)17/h5-8H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRLHACMHLLPQOFK-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.28
Rot. Bonds4

About N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide

N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide (PubChem CID 18149192) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
PubChem CID18149192
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-4-8(2)13(18)16-10-5-6-12(11(14)7-10)15-9(3)17/h5-8H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyRLHACMHLLPQOFK-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938244
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
N-(4-acetamido-3-chlorophenyl)-2-phenylsulfanylpropanamide
CID 17460927
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
N-(4-acetamido-3-chlorophenyl)-3-chloropropanamide
CID 43167983
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
N-[2-chloro-4-[[(2S)-3-(dimethylamino)-2-methylpropanoyl]amino]phenyl]pentanamide
CID 164638174
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide (CID 18149192) is N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide?
The InChIKey is RLHACMHLLPQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-8(2)13(18)16-10-5-6-12(11(14)7-10)15-9(3)17/h5-8H,4H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide?
N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide has a molecular weight of 268.74 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide is sourced from PubChem (CID 18149192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).