N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide

C14H18ClNO2 — CID 114304745

IUPACN-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC(Cl)c1ccccc1NC(=O)CC1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(15)12-6-2-3-7-13(12)16-14(17)9-11-5-4-8-18-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyLHCQTTMJCWAMBQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide

N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 114304745) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID114304745
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCC(Cl)c1ccccc1NC(=O)CC1CCCO1
InChIInChI=1S/C14H18ClNO2/c1-10(15)12-6-2-3-7-13(12)16-14(17)9-11-5-4-8-18-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyLHCQTTMJCWAMBQ-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107800881
N-(1-benzyl-2-oxo-3-pyridinyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 97053772
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108960081
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide (CID 114304745) is N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide is CC(Cl)c1ccccc1NC(=O)CC1CCCO1.
What is the InChIKey of N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is LHCQTTMJCWAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(15)12-6-2-3-7-13(12)16-14(17)9-11-5-4-8-18-11/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-chloroethyl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114304745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).