3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide

C14H11BrFNO2 — CID 175816336

IUPAC3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide
SMILESNC(=O)c1cc(F)cc(Cc2ccc(Br)cc2)c1O
InChIInChI=1S/C14H11BrFNO2/c15-10-3-1-8(2-4-10)5-9-6-11(16)7-12(13(9)18)14(17)19/h1-4,6-7,18H,5H2,(H2,17,19)
InChIKeyOBOPEQJQURLLHN-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.98
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide

3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 175816336) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide
PubChem CID175816336
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide
SMILESNC(=O)c1cc(F)cc(Cc2ccc(Br)cc2)c1O
InChIInChI=1S/C14H11BrFNO2/c15-10-3-1-8(2-4-10)5-9-6-11(16)7-12(13(9)18)14(17)19/h1-4,6-7,18H,5H2,(H2,17,19)
InChIKeyOBOPEQJQURLLHN-UHFFFAOYSA-N
XLogP2.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 175274182
4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
sodium 2-[2-amino-3-(4-bromobenzoyl)-5-fluorophenyl]acetate
CID 23711006
3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-5,7-dicarboxamide
CID 59696515
4-bromo-2-[(4-methoxyphenyl)methyl]benzamide
CID 68508127
3-[(4-bromo-2-fluorophenyl)methyl]-4-fluoro-2-hydroxy-5-methylbenzamide
CID 142035556
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
2-(aminomethyl)-4-fluorobenzamide
CID 174538436
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
1-(4-bromo-2-hydroxyphenyl)-2-(4-fluorophenyl)ethanone
CID 75481107
2-[[8-[(4-bromophenyl)methyl]-6-fluoro-4-hydroxy-2-oxo-1H-quinoline-3-carbonyl]amino]acetic acid
CID 69397091
2,3-dibromo-5-fluorobenzamide
CID 119023969

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide (CID 175816336) is 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide is NC(=O)c1cc(F)cc(Cc2ccc(Br)cc2)c1O.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is OBOPEQJQURLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-3-1-8(2-4-10)5-9-6-11(16)7-12(13(9)18)14(17)19/h1-4,6-7,18H,5H2,(H2,17,19).
What are the key properties of 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide?
3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 175816336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).