2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C13H18ClNO — CID 3859248

IUPAC2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO/c1-8(2)11-7-5-6-9(3)12(11)15-13(16)10(4)14/h5-8,10H,1-4H3,(H,15,16)
InChIKeyAKLKTQNAKIHBSY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide

2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 3859248) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID3859248
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO/c1-8(2)11-7-5-6-9(3)12(11)15-13(16)10(4)14/h5-8,10H,1-4H3,(H,15,16)
InChIKeyAKLKTQNAKIHBSY-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
1-[(2S)-3-methylbutan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 51944614
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
4-amino-5-(2-methyl-6-propan-2-ylanilino)-5-oxopentanoic acid
CID 64895201
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 3859248) is 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is AKLKTQNAKIHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8(2)11-7-5-6-9(3)12(11)15-13(16)10(4)14/h5-8,10H,1-4H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 239.75 g/mol, XLogP of 3.68, 3 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-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 3859248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).