3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide

C16H15F2NO2 — CID 110888781

IUPAC3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10-2-3-12(8-14(10)18)16(21)19-9-15(20)11-4-6-13(17)7-5-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyGQEFPDKVQMTOHQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.74
Rot. Bonds4

About 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide

3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide (PubChem CID 110888781) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
PubChem CID110888781
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H15F2NO2/c1-10-2-3-12(8-14(10)18)16(21)19-9-15(20)11-4-6-13(17)7-5-11/h2-8,15,20H,9H2,1H3,(H,19,21)
InChIKeyGQEFPDKVQMTOHQ-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-fluoro-4-methylbenzamide
CID 43461480
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,4-difluorobenzamide
CID 90581425
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
N-(2-amino-2-phenylethyl)-3-fluoro-4-methylbenzamide
CID 63120380
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide (CID 110888781) is 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1F.
What is the InChIKey of 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide?
The InChIKey is GQEFPDKVQMTOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10-2-3-12(8-14(10)18)16(21)19-9-15(20)11-4-6-13(17)7-5-11/h2-8,15,20H,9H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide?
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide is sourced from PubChem (CID 110888781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).