3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide

C16H13BrF3NO2 — CID 55710254

IUPAC3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(Br)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13BrF3NO2/c1-9(10-3-2-4-14(7-10)23-16(19)20)21-15(22)11-5-12(17)8-13(18)6-11/h2-9,16H,1H3,(H,21,22)
InChIKeyRYMOEKHNOPLOMX-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.68
Rot. Bonds5

About 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide

3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide (PubChem CID 55710254) has the molecular formula C16H13BrF3NO2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
PubChem CID55710254
Molecular FormulaC16H13BrF3NO2
Molecular Weight388.18 g/mol
Exact Mass387.01
IUPAC Name3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
SMILESCC(NC(=O)c1cc(F)cc(Br)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H13BrF3NO2/c1-9(10-3-2-4-14(7-10)23-16(19)20)21-15(22)11-5-12(17)8-13(18)6-11/h2-9,16H,1H3,(H,21,22)
InChIKeyRYMOEKHNOPLOMX-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
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N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
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N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
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N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
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3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide (CID 55710254) is 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide is CC(NC(=O)c1cc(F)cc(Br)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide?
The InChIKey is RYMOEKHNOPLOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3NO2/c1-9(10-3-2-4-14(7-10)23-16(19)20)21-15(22)11-5-12(17)8-13(18)6-11/h2-9,16H,1H3,(H,21,22).
What are the key properties of 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide?
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide has a molecular weight of 388.18 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide is sourced from PubChem (CID 55710254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).