3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide

C16H15F2NO3 — CID 110931053

IUPAC3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c17-16(18)22-13-8-4-7-12(9-13)15(21)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,16,20H,10H2,(H,19,21)
InChIKeyLIFBJSGNYQNCLN-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.75
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide

3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide (PubChem CID 110931053) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
PubChem CID110931053
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c17-16(18)22-13-8-4-7-12(9-13)15(21)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,16,20H,10H2,(H,19,21)
InChIKeyLIFBJSGNYQNCLN-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methylprop-2-enoxy)benzamide
CID 46984256
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide (CID 110931053) is 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide is O=C(NC(CO)c1ccccc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide?
The InChIKey is LIFBJSGNYQNCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c17-16(18)22-13-8-4-7-12(9-13)15(21)19-14(10-20)11-5-2-1-3-6-11/h1-9,14,16,20H,10H2,(H,19,21).
What are the key properties of 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide?
3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide has a molecular weight of 307.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-hydroxy-1-phenylethyl)benzamide is sourced from PubChem (CID 110931053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).