4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

C16H15BrFNO2 — CID 110665731

IUPAC4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO2/c17-13-5-1-12(2-6-13)16(21)19-10-9-15(20)11-3-7-14(18)8-4-11/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyLLEZNGXZNJFWDN-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide

4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (PubChem CID 110665731) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
PubChem CID110665731
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
SMILESO=C(NCCC(O)c1ccc(F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO2/c17-13-5-1-12(2-6-13)16(21)19-10-9-15(20)11-3-7-14(18)8-4-11/h1-8,15,20H,9-10H2,(H,19,21)
InChIKeyLLEZNGXZNJFWDN-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
4-bromo-N-[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]benzamide
CID 41453661
3-cyano-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665732
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2,6-dimethoxybenzamide
CID 110665737
N'-(4-bromobenzoyl)-4-fluorobenzohydrazide
CID 2709679
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-bromo-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 2530960
(4-fluorophenyl) 3-[(4-bromobenzoyl)amino]propanoate
CID 26687697
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide (CID 110665731) is 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is O=C(NCCC(O)c1ccc(F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
The InChIKey is LLEZNGXZNJFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c17-13-5-1-12(2-6-13)16(21)19-10-9-15(20)11-3-7-14(18)8-4-11/h1-8,15,20H,9-10H2,(H,19,21).
What are the key properties of 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide?
4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide has a molecular weight of 352.20 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide is sourced from PubChem (CID 110665731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).