3,4-difluoro-N-(2-hydroxypropoxy)benzamide

C10H11F2NO3 — CID 87738823

IUPAC3,4-difluoro-N-(2-hydroxypropoxy)benzamide
SMILESCC(O)CONC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3/c1-6(14)5-16-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyXPNWHSUSUCTKDR-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.01
Rot. Bonds4

About 3,4-difluoro-N-(2-hydroxypropoxy)benzamide

3,4-difluoro-N-(2-hydroxypropoxy)benzamide (PubChem CID 87738823) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-hydroxypropoxy)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-hydroxypropoxy)benzamide
PubChem CID87738823
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name3,4-difluoro-N-(2-hydroxypropoxy)benzamide
SMILESCC(O)CONC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO3/c1-6(14)5-16-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyXPNWHSUSUCTKDR-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-(2-hydroxyethoxy)benzamide
CID 142266276
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
N-(1-chloropropan-2-yl)-3,4-difluorobenzamide
CID 114299407
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
2-(aminomethyl)-1-(3,4-difluorophenyl)-3-methylbutan-1-one
CID 116573820

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-hydroxypropoxy)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-hydroxypropoxy)benzamide (CID 87738823) is 3,4-difluoro-N-(2-hydroxypropoxy)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-hydroxypropoxy)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-hydroxypropoxy)benzamide is CC(O)CONC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-hydroxypropoxy)benzamide?
The InChIKey is XPNWHSUSUCTKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-6(14)5-16-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of 3,4-difluoro-N-(2-hydroxypropoxy)benzamide?
3,4-difluoro-N-(2-hydroxypropoxy)benzamide has a molecular weight of 231.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-hydroxypropoxy)benzamide is sourced from PubChem (CID 87738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).