2-chloro-N,N-diethyl-2-phenylacetamide

C12H16ClNO — CID 4962500

IUPAC2-chloro-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyXGCSCGPEXJYFRH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-N,N-diethyl-2-phenylacetamide

2-chloro-N,N-diethyl-2-phenylacetamide (PubChem CID 4962500) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-2-phenylacetamide
PubChem CID4962500
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyXGCSCGPEXJYFRH-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.83
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

N,N-Diethyl-2-phenylacetamide
CID 17076
2-Chloro-1-(morpholin-4-yl)-2-phenylethan-1-one
CID 4962514
N,N-Dimethyl-2-phenylacetamide
CID 87853
2-Chloro-2-phenyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 4962513
2-chloro-N-cyclopropyl-2-phenylacetamide
CID 4198552
N-Benzyl-2-chloro-2-phenylacetamide
CID 147187
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
1-(2,6-Dimethyl-1-piperidinyl)-2-phenylethanone
CID 2838535
Benzeneacetamide, N,N-bis(1-methylethyl)-
CID 118624
2-chloro-N-(2-phenylethyl)propanamide
CID 202720
4-(Chloromethyl)-N,N-diethylbenzamide
CID 3041663
2-Chloro-N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide
CID 75298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N,N-diethyl-2-phenylacetamide (CID 4962500) is 2-chloro-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N,N-diethyl-2-phenylacetamide?
The InChIKey is XGCSCGPEXJYFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-14(4-2)12(15)11(13)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-2-phenylacetamide?
2-chloro-N,N-diethyl-2-phenylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 4962500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).