3-[(5-bromo-2-fluorophenoxy)methyl]benzamide

C14H11BrFNO2 — CID 115918400

IUPAC3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H11BrFNO2/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyHSESRUOIKPTWSS-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.27
Rot. Bonds4

About 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide

3-[(5-bromo-2-fluorophenoxy)methyl]benzamide (PubChem CID 115918400) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
PubChem CID115918400
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2cc(Br)ccc2F)c1
InChIInChI=1S/C14H11BrFNO2/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyHSESRUOIKPTWSS-UHFFFAOYSA-N
XLogP3.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-carbamoylphenyl)methyl 4-bromo-2-fluorobenzoate
CID 55634593
2-amino-5-[(3-bromophenyl)methoxy]-4-fluorobenzamide
CID 82831786
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
5-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879958
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
3-[(2-fluorophenoxy)methyl]benzenecarbothioamide
CID 24707271
5-[(5-bromo-2-fluorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 114672512
4-[(5-bromo-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136987900

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide?
The IUPAC name of 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide (CID 115918400) is 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide is NC(=O)c1cccc(COc2cc(Br)ccc2F)c1.
What is the InChIKey of 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide?
The InChIKey is HSESRUOIKPTWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-11-4-5-12(16)13(7-11)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H2,17,18).
What are the key properties of 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide?
3-[(5-bromo-2-fluorophenoxy)methyl]benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 115918400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).