4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

C17H17F2NO3 — CID 109388608

IUPAC4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2NO3/c1-11(10-21)20(2)17(22)12-3-5-13(6-4-12)23-14-7-8-15(18)16(19)9-14/h3-9,11,21H,10H2,1-2H3
InChIKeyWNXDFTGDKLWSJL-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.21
Rot. Bonds5

About 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide

4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (PubChem CID 109388608) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
PubChem CID109388608
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC Name4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
SMILESCC(CO)N(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H17F2NO3/c1-11(10-21)20(2)17(22)12-3-5-13(6-4-12)23-14-7-8-15(18)16(19)9-14/h3-9,11,21H,10H2,1-2H3
InChIKeyWNXDFTGDKLWSJL-UHFFFAOYSA-N
XLogP3.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-difluorophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111758314
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
3,4-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylbenzamide
CID 67773903
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-(dimethylamino)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113344177
N-(1-hydroxypropan-2-yl)-N-methyl-4-sulfanylbenzamide
CID 107034868
4-(3,4-difluorophenoxy)-N-ethyl-N-(1H-imidazol-2-yl)benzamide
CID 99630422
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
CID 99854772
N-(1-cyanopropan-2-yl)-3,4-difluoro-N-methylbenzamide
CID 55175707

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide (CID 109388608) is 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is CC(CO)N(C)C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
The InChIKey is WNXDFTGDKLWSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-11(10-21)20(2)17(22)12-3-5-13(6-4-12)23-14-7-8-15(18)16(19)9-14/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide?
4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide has a molecular weight of 321.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-(1-hydroxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 109388608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).