2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide

C13H18ClNO — CID 117059844

IUPAC2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)C(C)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-10(2)15(13(16)9-14)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyUSDRLZFYQCKNML-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.22
Rot. Bonds4

About 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide

2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide (PubChem CID 117059844) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
PubChem CID117059844
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CCl)C(C)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-10(2)15(13(16)9-14)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyUSDRLZFYQCKNML-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
2-chloro-N-(6-oxocyclohexen-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 23238867
[4-[(1S)-2-[(2-chloroacetyl)-[(1S)-1-phenylethyl]amino]-1-hydroxyethyl]phenyl] methanesulfonate
CID 87367399
(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
3-[2-methylpropyl(1-phenylethyl)amino]propanoic acid
CID 82328958
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide (CID 117059844) is 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide is CC(C)N(C(=O)CCl)C(C)c1ccccc1.
What is the InChIKey of 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide?
The InChIKey is USDRLZFYQCKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(2)15(13(16)9-14)11(3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide?
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide has a molecular weight of 239.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 117059844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).