3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide

C16H15F2NO3 — CID 110902273

IUPAC3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c17-16(18)22-14-3-1-2-12(10-14)15(21)19-13-6-4-11(5-7-13)8-9-20/h1-7,10,16,20H,8-9H2,(H,19,21)
InChIKeySTDPOHQUKKPYOP-UHFFFAOYSA-N
MW307.30 g/mol
LogP3.08
Rot. Bonds6

About 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide

3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide (PubChem CID 110902273) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
PubChem CID110902273
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H15F2NO3/c17-16(18)22-14-3-1-2-12(10-14)15(21)19-13-6-4-11(5-7-13)8-9-20/h1-7,10,16,20H,8-9H2,(H,19,21)
InChIKeySTDPOHQUKKPYOP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-(difluoromethoxy)-N-(6-fluoro-3-pyridinyl)benzamide
CID 103789754
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
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CID 7948721

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide (CID 110902273) is 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide is O=C(Nc1ccc(CCO)cc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide?
The InChIKey is STDPOHQUKKPYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3/c17-16(18)22-14-3-1-2-12(10-14)15(21)19-13-6-4-11(5-7-13)8-9-20/h1-7,10,16,20H,8-9H2,(H,19,21).
What are the key properties of 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide?
3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide has a molecular weight of 307.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide is sourced from PubChem (CID 110902273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).