3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide

C12H16FNO2 — CID 115659969

IUPAC3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16FNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyWZPGRQGAIBAGSR-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.63
Rot. Bonds4

About 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide

3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide (PubChem CID 115659969) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
PubChem CID115659969
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)NCCC(C)O)c1
InChIInChI=1S/C12H16FNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyWZPGRQGAIBAGSR-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
4-[(3,5-difluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538601
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
4-amino-3,5-dichloro-N-(3-hydroxybutyl)benzamide
CID 82832737
N-(2-ethyl-4-hydroxybutyl)-3-fluoro-5-methylbenzamide
CID 112699624
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide?
The IUPAC name of 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide (CID 115659969) is 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide is Cc1cc(F)cc(C(=O)NCCC(C)O)c1.
What is the InChIKey of 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide?
The InChIKey is WZPGRQGAIBAGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-5-10(7-11(13)6-8)12(16)14-4-3-9(2)15/h5-7,9,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide?
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide is sourced from PubChem (CID 115659969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).