2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide

C16H15F2NO2 — CID 82798846

IUPAC2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(C(C)O)c2)c1F
InChIInChI=1S/C16H15F2NO2/c1-9-6-7-13(17)14(15(9)18)16(21)19-12-5-3-4-11(8-12)10(2)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyYRINRHSBXVIKNG-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.58
Rot. Bonds3

About 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide

2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide (PubChem CID 82798846) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
PubChem CID82798846
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(C(C)O)c2)c1F
InChIInChI=1S/C16H15F2NO2/c1-9-6-7-13(17)14(15(9)18)16(21)19-12-5-3-4-11(8-12)10(2)20/h3-8,10,20H,1-2H3,(H,19,21)
InChIKeyYRINRHSBXVIKNG-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,6-difluoro-3-methylbenzoyl)amino]benzoic acid
CID 82798153
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
3,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676952
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-3-nitrobenzamide
CID 4099768
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
N-[3-(1-hydroxyethyl)phenyl]-4-phenylbenzamide
CID 18552677

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide (CID 82798846) is 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cccc(C(C)O)c2)c1F.
What is the InChIKey of 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
The InChIKey is YRINRHSBXVIKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-9-6-7-13(17)14(15(9)18)16(21)19-12-5-3-4-11(8-12)10(2)20/h3-8,10,20H,1-2H3,(H,19,21).
What are the key properties of 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide?
2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[3-(1-hydroxyethyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 82798846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).