4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide

C10H12FNO3 — CID 68606030

IUPAC4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(F)c(OCCO)cc1C(N)=O
InChIInChI=1S/C10H12FNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyKERKURSCRIVRIK-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.60
Rot. Bonds4

About 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide

4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide (PubChem CID 68606030) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
PubChem CID68606030
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide
SMILESCc1cc(F)c(OCCO)cc1C(N)=O
InChIInChI=1S/C10H12FNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyKERKURSCRIVRIK-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,5-dimethylbenzamide
CID 119025196
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
4-(2-hydroxyethoxy)-3-methylbenzenecarbothioamide
CID 60928966
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
2-(5-fluoro-2-methoxy-4-methylphenoxy)ethanol
CID 70838034
2-(3-butoxy-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 150291896
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
3-(2-hydroxyethoxy)-2-iodobenzamide
CID 58242141
2-hydroxyethyl 4-fluoro-3-methylbenzoate
CID 116862866
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-chloro-2-methylbenzamide
CID 68604698
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The IUPAC name of 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide (CID 68606030) is 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The canonical SMILES for 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide is Cc1cc(F)c(OCCO)cc1C(N)=O.
What is the InChIKey of 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide?
The InChIKey is KERKURSCRIVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-6-4-8(11)9(15-3-2-13)5-7(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14).
What are the key properties of 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide?
4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide has a molecular weight of 213.21 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-hydroxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 68606030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).