2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide

C15H22ClNO — CID 175366579

IUPAC2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccccc1C(C)(C)CNC(=O)CCl
InChIInChI=1S/C15H22ClNO/c1-11(2)12-7-5-6-8-13(12)15(3,4)10-17-14(18)9-16/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyKJKYBBNSXNZJIA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide

2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide (PubChem CID 175366579) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
PubChem CID175366579
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccccc1C(C)(C)CNC(=O)CCl
InChIInChI=1S/C15H22ClNO/c1-11(2)12-7-5-6-8-13(12)15(3,4)10-17-14(18)9-16/h5-8,11H,9-10H2,1-4H3,(H,17,18)
InChIKeyKJKYBBNSXNZJIA-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.44
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

N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195
N-[2-(2-benzhydrylphenyl)-2-methylpropyl]-2,2-dimethylpropanamide
CID 14741654
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
2-(methylamino)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756879
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
CID 95280366
(2S)-2-(2-propan-2-ylphenyl)butan-2-ol
CID 97294103
methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide (CID 175366579) is 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccccc1C(C)(C)CNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is KJKYBBNSXNZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(2)12-7-5-6-8-13(12)15(3,4)10-17-14(18)9-16/h5-8,11H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide?
2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 267.80 g/mol, XLogP of 3.44, 5 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-2-(2-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 175366579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).