3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide

C11H14FNO2 — CID 42919303

IUPAC3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)O)cc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-6-8(2)14/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyLBICGOBZIPMGSD-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.24
Rot. Bonds3

About 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide

3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide (PubChem CID 42919303) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
PubChem CID42919303
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)O)cc1F
InChIInChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-6-8(2)14/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyLBICGOBZIPMGSD-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64996528
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide (CID 42919303) is 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)O)cc1F.
What is the InChIKey of 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide?
The InChIKey is LBICGOBZIPMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-3-4-9(5-10(7)12)11(15)13-6-8(2)14/h3-5,8,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide?
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide is sourced from PubChem (CID 42919303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).