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

C10H11F2NO3 — CID 66176013

IUPACN-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
SMILESO=C(NCC(O)CO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3/c11-8-2-1-6(3-9(8)12)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyWOBPSCNOWLRAPP-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.05
Rot. Bonds4

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

N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide (PubChem CID 66176013) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
PubChem CID66176013
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC NameN-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
SMILESO=C(NCC(O)CO)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3/c11-8-2-1-6(3-9(8)12)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16)
InChIKeyWOBPSCNOWLRAPP-UHFFFAOYSA-N
XLogP0.05
TPSA69.56 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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
5-chloro-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175370
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
5-bromo-N-(2,3-dihydroxypropyl)-2-fluorobenzamide
CID 66175364
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide (CID 66176013) is N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide is O=C(NCC(O)CO)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide?
The InChIKey is WOBPSCNOWLRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-8-2-1-6(3-9(8)12)10(16)13-4-7(15)5-14/h1-3,7,14-15H,4-5H2,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide?
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide has a molecular weight of 231.20 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide is sourced from PubChem (CID 66176013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).