3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide

C15H13ClFNO2 — CID 102670681

IUPAC3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(F)c(OCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-5-13(17)14(6-9)20-8-11-4-3-10(15(18)19)7-12(11)16/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyJAYZJRZLTPICAA-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.47
Rot. Bonds4

About 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide

3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide (PubChem CID 102670681) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
PubChem CID102670681
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(F)c(OCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-9-2-5-13(17)14(6-9)20-8-11-4-3-10(15(18)19)7-12(11)16/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyJAYZJRZLTPICAA-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
2-(2-chloro-4-methylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106865397
3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylbenzoic acid
CID 106861515
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide (CID 102670681) is 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide is Cc1ccc(F)c(OCc2ccc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide?
The InChIKey is JAYZJRZLTPICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-2-5-13(17)14(6-9)20-8-11-4-3-10(15(18)19)7-12(11)16/h2-7H,8H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide?
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide has a molecular weight of 293.73 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 102670681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).