2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

C12H13F2NO3 — CID 113337991

IUPAC2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyMDBKDPGNQIOJEB-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.85
Rot. Bonds3

About 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (PubChem CID 113337991) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
PubChem CID113337991
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCOC1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16)
InChIKeyMDBKDPGNQIOJEB-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-nitrobenzamide
CID 103849499
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
5-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 103849224
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide (CID 113337991) is 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is O=C(NCC1(O)CCOC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
The InChIKey is MDBKDPGNQIOJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-8-1-2-10(14)9(5-8)11(16)15-6-12(17)3-4-18-7-12/h1-2,5,17H,3-4,6-7H2,(H,15,16).
What are the key properties of 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide?
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide has a molecular weight of 257.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 113337991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).