3-[(4-fluorophenoxy)methyl]benzamide

C14H12FNO2 — CID 47027867

IUPAC3-[(4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyGDUFBSMXZJLMKJ-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.50
Rot. Bonds4

About 3-[(4-fluorophenoxy)methyl]benzamide

3-[(4-fluorophenoxy)methyl]benzamide (PubChem CID 47027867) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]benzamide
PubChem CID47027867
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-[(4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17)
InChIKeyGDUFBSMXZJLMKJ-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-(1H-indol-5-yloxymethyl)benzamide
CID 80641446
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)butanoate
CID 60541514
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380
(3-carbamoylphenyl)methyl 3-(4-fluorophenyl)prop-2-enoate
CID 76861544
3-[[4-[[3-[(3-fluorophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenoxy]methyl]benzamide
CID 175561554
3-[(5-bromo-2-fluorophenoxy)methyl]benzamide
CID 115918400
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]benzamide
CID 55631453
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]benzamide?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]benzamide (CID 47027867) is 3-[(4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]benzamide is NC(=O)c1cccc(COc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]benzamide?
The InChIKey is GDUFBSMXZJLMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8H,9H2,(H2,16,17).
What are the key properties of 3-[(4-fluorophenoxy)methyl]benzamide?
3-[(4-fluorophenoxy)methyl]benzamide has a molecular weight of 245.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 47027867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).