2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C12H16ClNO — CID 2784737

IUPAC2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-12(2,14-11(15)9-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyMALXEKZIWSJFBN-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.36
Rot. Bonds4

About 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 2784737) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID2784737
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-12(2,14-11(15)9-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyMALXEKZIWSJFBN-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.36
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

2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
2-chloro-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]acetamide
CID 94691468
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100733886
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
CID 91568309
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100626606
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 23109639
2-(2-fluorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100769314
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 114264076

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 2784737) is 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CC(C)(Cc1ccccc1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is MALXEKZIWSJFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(2,14-11(15)9-13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.36, 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-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 2784737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).