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

C14H20ClNO — CID 62727710

IUPAC3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)CCl
InChIInChI=1S/C14H20ClNO/c1-9(2)12-7-5-6-10(3)13(12)16-14(17)11(4)8-15/h5-7,9,11H,8H2,1-4H3,(H,16,17)
InChIKeyXQNYKERQXXSGGF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.93
Rot. Bonds4

About 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 62727710) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID62727710
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)CCl
InChIInChI=1S/C14H20ClNO/c1-9(2)12-7-5-6-10(3)13(12)16-14(17)11(4)8-15/h5-7,9,11H,8H2,1-4H3,(H,16,17)
InChIKeyXQNYKERQXXSGGF-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.93
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

5-amino-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pentanamide
CID 112517030
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-methyl-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62670099
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
1-butan-2-yl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 45366518
1-(2-methyl-6-propan-2-ylphenyl)-3-pentan-3-ylurea
CID 47195278
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)hexanamide
CID 103830899

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 62727710) is 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)C(C)CCl.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is XQNYKERQXXSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(2)12-7-5-6-10(3)13(12)16-14(17)11(4)8-15/h5-7,9,11H,8H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 253.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 62727710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).