2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide

C15H20ClNO2 — CID 61435349

IUPAC2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESCCN(CC1CCCO1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-2-17(11-13-9-6-10-19-13)15(18)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyVHTBTRBPPDDSQT-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.99
Rot. Bonds5

About 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide

2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide (PubChem CID 61435349) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
PubChem CID61435349
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
SMILESCCN(CC1CCCO1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H20ClNO2/c1-2-17(11-13-9-6-10-19-13)15(18)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyVHTBTRBPPDDSQT-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
2-bromo-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 61435299
(2R)-2-amino-N-ethyl-3,3-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 103929712
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)propanamide
CID 119750560
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide (CID 61435349) is 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide is CCN(CC1CCCO1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
The InChIKey is VHTBTRBPPDDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-17(11-13-9-6-10-19-13)15(18)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide?
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide has a molecular weight of 281.78 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide is sourced from PubChem (CID 61435349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).