N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide

C14H11BrFNO2 — CID 104917207

IUPACN-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCc1cccc(Br)c1)c1c(O)cccc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18/h1-7,18H,8H2,(H,17,19)
InChIKeyBEUZJURJSVRAGE-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.22
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide

N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 104917207) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
PubChem CID104917207
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC NameN-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
SMILESO=C(NCc1cccc(Br)c1)c1c(O)cccc1F
InChIInChI=1S/C14H11BrFNO2/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18/h1-7,18H,8H2,(H,17,19)
InChIKeyBEUZJURJSVRAGE-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917477
N-[(3-chlorophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104916625
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[[3-(bromomethyl)phenyl]methyl]-2,6-difluorobenzamide
CID 114313059
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
4-bromo-N-[(3-fluorophenyl)methyl]-2-hydroxybenzamide
CID 47436066
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
2-chloro-N-[(3-chlorophenyl)methyl]-6-fluorobenzamide
CID 2679700

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide (CID 104917207) is N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide is O=C(NCc1cccc(Br)c1)c1c(O)cccc1F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is BEUZJURJSVRAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-4-1-3-9(7-10)8-17-14(19)13-11(16)5-2-6-12(13)18/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide?
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 104917207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).