2-chloro-N-(2-methyl-1-phenylpropyl)propanamide

C13H18ClNO — CID 43346667

IUPAC2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(Cl)C(=O)NC(c1ccccc1)C(C)C
InChIInChI=1S/C13H18ClNO/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)
InChIKeyIKTWBKWIOSMFCQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.13
Rot. Bonds4

About 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide

2-chloro-N-(2-methyl-1-phenylpropyl)propanamide (PubChem CID 43346667) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
PubChem CID43346667
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-N-(2-methyl-1-phenylpropyl)propanamide
SMILESCC(Cl)C(=O)NC(c1ccccc1)C(C)C
InChIInChI=1S/C13H18ClNO/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)
InChIKeyIKTWBKWIOSMFCQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide 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-benzhydryl-2-chloropropanamide
CID 2113355
(2R)-2-amino-N-(2-methyl-1-phenylpropyl)propanamide;hydrochloride
CID 119273389
2-amino-3,3-dimethyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 76888023
3-amino-4-[(2-methyl-1-phenylpropyl)amino]-4-oxobutanoic acid
CID 64896854
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
(2S)-2-amino-N-[(1S,2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-1,2-diphenylethyl]-3-methylbutanamide
CID 56956524
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide (CID 43346667) is 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide is CC(Cl)C(=O)NC(c1ccccc1)C(C)C.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide?
The InChIKey is IKTWBKWIOSMFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(2)12(15-13(16)10(3)14)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide?
2-chloro-N-(2-methyl-1-phenylpropyl)propanamide has a molecular weight of 239.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1-phenylpropyl)propanamide is sourced from PubChem (CID 43346667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).