4-fluoro-2-(3-hydroxypropyl)benzamide

C10H12FNO2 — CID 86681537

IUPAC4-fluoro-2-(3-hydroxypropyl)benzamide
SMILESNC(=O)c1ccc(F)cc1CCCO
InChIInChI=1S/C10H12FNO2/c11-8-3-4-9(10(12)14)7(6-8)2-1-5-13/h3-4,6,13H,1-2,5H2,(H2,12,14)
InChIKeyVMNSTUBPSGQTIQ-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.85
Rot. Bonds4

About 4-fluoro-2-(3-hydroxypropyl)benzamide

4-fluoro-2-(3-hydroxypropyl)benzamide (PubChem CID 86681537) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-fluoro-2-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(3-hydroxypropyl)benzamide
PubChem CID86681537
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-fluoro-2-(3-hydroxypropyl)benzamide
SMILESNC(=O)c1ccc(F)cc1CCCO
InChIInChI=1S/C10H12FNO2/c11-8-3-4-9(10(12)14)7(6-8)2-1-5-13/h3-4,6,13H,1-2,5H2,(H2,12,14)
InChIKeyVMNSTUBPSGQTIQ-UHFFFAOYSA-N
XLogP0.85
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-fluorobenzamide
CID 174538436
5-fluoro-2-(3-hydroxypropanoyl)benzamide
CID 18700444
2,4-difluorobenzamide;dihydrochloride
CID 22032026
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 91076811
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129
4-(4-hydroxybutyl)naphthalene-1-carboxamide
CID 90789019
2-decylbenzene-1,4-dicarboxamide
CID 141297186
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503
2-ethenyl-4-fluorobenzamide
CID 122232501

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-hydroxypropyl)benzamide?
The IUPAC name of 4-fluoro-2-(3-hydroxypropyl)benzamide (CID 86681537) is 4-fluoro-2-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(3-hydroxypropyl)benzamide?
The canonical SMILES for 4-fluoro-2-(3-hydroxypropyl)benzamide is NC(=O)c1ccc(F)cc1CCCO.
What is the InChIKey of 4-fluoro-2-(3-hydroxypropyl)benzamide?
The InChIKey is VMNSTUBPSGQTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-8-3-4-9(10(12)14)7(6-8)2-1-5-13/h3-4,6,13H,1-2,5H2,(H2,12,14).
What are the key properties of 4-fluoro-2-(3-hydroxypropyl)benzamide?
4-fluoro-2-(3-hydroxypropyl)benzamide has a molecular weight of 197.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 86681537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).