3-chloro-N-(oxolan-2-ylmethyl)benzamide

C12H14ClNO2 — CID 2788414

IUPAC3-chloro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyUEUFPGFWHHTRJD-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.25
Rot. Bonds3

About 3-chloro-N-(oxolan-2-ylmethyl)benzamide

3-chloro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2788414) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2788414
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15)
InChIKeyUEUFPGFWHHTRJD-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)benzamide (CID 2788414) is 3-chloro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UEUFPGFWHHTRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1,3-4,7,11H,2,5-6,8H2,(H,14,15).
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)benzamide?
3-chloro-N-(oxolan-2-ylmethyl)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 3-chloro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2788414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).