3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide

C10H11F2NO3 — CID 151168447

IUPAC3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(CC(O)CO)c1F
InChIInChI=1S/C10H11F2NO3/c11-8-2-1-6(10(13)16)9(12)7(8)3-5(15)4-14/h1-2,5,14-15H,3-4H2,(H2,13,16)
InChIKeyNBTKGOWLORFPTM-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.04
Rot. Bonds4

About 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide

3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide (PubChem CID 151168447) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide
PubChem CID151168447
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide
SMILESNC(=O)c1ccc(F)c(CC(O)CO)c1F
InChIInChI=1S/C10H11F2NO3/c11-8-2-1-6(10(13)16)9(12)7(8)3-5(15)4-14/h1-2,5,14-15H,3-4H2,(H2,13,16)
InChIKeyNBTKGOWLORFPTM-UHFFFAOYSA-N
XLogP-0.04
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide?
The IUPAC name of 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide (CID 151168447) is 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide is NC(=O)c1ccc(F)c(CC(O)CO)c1F.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide?
The InChIKey is NBTKGOWLORFPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-8-2-1-6(10(13)16)9(12)7(8)3-5(15)4-14/h1-2,5,14-15H,3-4H2,(H2,13,16).
What are the key properties of 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide?
3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide has a molecular weight of 231.20 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-2,4-difluorobenzamide is sourced from PubChem (CID 151168447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).