N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide

C14H18ClNO2 — CID 113271343

IUPACN-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO2/c15-13(11-5-2-1-3-6-11)10-16-14(17)9-12-7-4-8-18-12/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyNBSRSLIQRKDRAE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.65
Rot. Bonds5

About N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide

N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide (PubChem CID 113271343) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
PubChem CID113271343
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(Cl)c1ccccc1
InChIInChI=1S/C14H18ClNO2/c15-13(11-5-2-1-3-6-11)10-16-14(17)9-12-7-4-8-18-12/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)
InChIKeyNBSRSLIQRKDRAE-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide 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-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 65157429
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 94175675
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 114304745
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
1-chloro-4-(oxolan-2-yl)-1-phenylbutan-2-one
CID 81236403
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide (CID 113271343) is N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC(Cl)c1ccccc1.
What is the InChIKey of N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is NBSRSLIQRKDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-13(11-5-2-1-3-6-11)10-16-14(17)9-12-7-4-8-18-12/h1-3,5-6,12-13H,4,7-10H2,(H,16,17).
What are the key properties of N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide?
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).