N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide

C12H14ClNO2 — CID 47209133

IUPACN-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-9-3-1-4-10(7-9)14-12(15)8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyNTWXPSMHTHBNLI-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.85
Rot. Bonds3

About N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide

N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 47209133) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
PubChem CID47209133
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-9-3-1-4-10(7-9)14-12(15)8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyNTWXPSMHTHBNLI-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[3-(cyclopentylamino)phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95629890
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
6-N-(3-chlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096215
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
N-(3-chlorophenyl)-4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidine-1-carboxamide
CID 93071875
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide (CID 47209133) is N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is NTWXPSMHTHBNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-9-3-1-4-10(7-9)14-12(15)8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15).
What are the key properties of N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide?
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 47209133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).