4-fluoro-N-(oxolan-2-ylmethyl)benzamide

C12H14FNO2 — CID 531952

IUPAC4-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyYLCHGPYMLNKWSY-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.73
Rot. Bonds3

About 4-fluoro-N-(oxolan-2-ylmethyl)benzamide

4-fluoro-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 531952) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-fluoro-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(oxolan-2-ylmethyl)benzamide
PubChem CID531952
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-fluoro-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15)
InChIKeyYLCHGPYMLNKWSY-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
6-[(4-fluorophenyl)methylamino]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382821
6-[(4-fluorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382822
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)benzamide (CID 531952) is 4-fluoro-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is YLCHGPYMLNKWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h3-6,11H,1-2,7-8H2,(H,14,15).
What are the key properties of 4-fluoro-N-(oxolan-2-ylmethyl)benzamide?
4-fluoro-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 223.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 531952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).