3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide

C11H14FNO2 — CID 65031989

IUPAC3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyNLBPBJOQALXJQQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.18
Rot. Bonds4

About 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide

3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 65031989) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID65031989
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKeyNLBPBJOQALXJQQ-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65032070
3-fluoro-N-(2-methyl-3-naphthalen-1-ylpropyl)benzamide
CID 133203833
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
2-[[(3-fluorobenzoyl)amino]methyl]butanoic acid
CID 65217601
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide (CID 65031989) is 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is NLBPBJOQALXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7H2,1H3,(H,13,15).
What are the key properties of 3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide?
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 211.24 g/mol, XLogP of 1.18, 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-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 65031989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).