2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C12H14ClNO2 — CID 668841

IUPAC2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyHOJRGAVTPWHWKA-VIFPVBQESA-N
MW239.70 g/mol
LogP2.25
Rot. Bonds3

About 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 668841) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID668841
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1Cl
InChIInChI=1S/C12H14ClNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)/t9-/m0/s1
InChIKeyHOJRGAVTPWHWKA-VIFPVBQESA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide 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

1-[(2-chlorobenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 47102501
2-[(2-chlorobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935508
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
2-[(2-chlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17491650
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-chlorobenzoate
CID 2362816
1-[4-[(2-chlorobenzoyl)amino]phenyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089028
2-[(2-chlorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 6986382
2-[(2-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3146542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 668841) is 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is HOJRGAVTPWHWKA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)/t9-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 239.70 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 668841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).