3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide

C14H11ClFNO2 — CID 64763801

IUPAC3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-2-4-12(5-3-11)19-8-10-7-9(14(17)18)1-6-13(10)16/h1-7H,8H2,(H2,17,18)
InChIKeyOOAWQAGKUNKNAW-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.16
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide

3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide (PubChem CID 64763801) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
PubChem CID64763801
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C14H11ClFNO2/c15-11-2-4-12(5-3-11)19-8-10-7-9(14(17)18)1-6-13(10)16/h1-7H,8H2,(H2,17,18)
InChIKeyOOAWQAGKUNKNAW-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[(4-hydroxyphenoxy)methyl]benzamide
CID 43326289
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-[(3,5-dimethylphenoxy)methyl]-4-fluorobenzamide
CID 65202032
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
5-[(5-carbamoyl-2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63851699
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
4-[(4-amino-3-chlorophenoxy)methyl]-3-fluorobenzamide
CID 62111611
4-[(3-bromo-4-fluorophenoxy)methyl]-3-fluorobenzamide
CID 83231247
4-fluoro-3-[(4-propan-2-ylphenoxy)methyl]benzoic acid
CID 63530478
4-[[4-(2-aminoethyl)phenoxy]methyl]-3-fluorobenzamide
CID 65362266
3-[(2-bromo-4-fluorophenoxy)methyl]-4-fluorobenzamide
CID 24704635

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide (CID 64763801) is 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide is NC(=O)c1ccc(F)c(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide?
The InChIKey is OOAWQAGKUNKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-11-2-4-12(5-3-11)19-8-10-7-9(14(17)18)1-6-13(10)16/h1-7H,8H2,(H2,17,18).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide?
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide has a molecular weight of 279.70 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide is sourced from PubChem (CID 64763801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).