N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide

C17H17F2NO3 — CID 110014829

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1O
InChIInChI=1S/C17H17F2NO3/c1-10-3-4-11(7-15(10)21)16(22)20-9-17(2,23)13-6-5-12(18)8-14(13)19/h3-8,21,23H,9H2,1-2H3,(H,20,22)
InChIKeyOESFRJBTLDEPKH-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide (PubChem CID 110014829) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
PubChem CID110014829
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1O
InChIInChI=1S/C17H17F2NO3/c1-10-3-4-11(7-15(10)21)16(22)20-9-17(2,23)13-6-5-12(18)8-14(13)19/h3-8,21,23H,9H2,1-2H3,(H,20,22)
InChIKeyOESFRJBTLDEPKH-UHFFFAOYSA-N
XLogP2.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-(3-bromo-2,2-dimethylpropyl)-3-hydroxy-4-methylbenzamide
CID 115364936
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide (CID 110014829) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cc1O.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is OESFRJBTLDEPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-10-3-4-11(7-15(10)21)16(22)20-9-17(2,23)13-6-5-12(18)8-14(13)19/h3-8,21,23H,9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 110014829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).