3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide

C20H15F2NO2 — CID 172648851

IUPAC3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15F2NO2/c21-18-11-15(20(23)24)10-17(19(18)22)14-7-4-8-16(9-14)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,23,24)
InChIKeyPHYDBOOJWUDWMM-UHFFFAOYSA-N
MW339.34 g/mol
LogP4.31
Rot. Bonds5

About 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide

3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide (PubChem CID 172648851) has the molecular formula C20H15F2NO2 and a molecular weight of 339.34 g/mol. Its IUPAC name is 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
PubChem CID172648851
Molecular FormulaC20H15F2NO2
Molecular Weight339.34 g/mol
Exact Mass339.11
IUPAC Name3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide
SMILESNC(=O)c1cc(F)c(F)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C20H15F2NO2/c21-18-11-15(20(23)24)10-17(19(18)22)14-7-4-8-16(9-14)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,23,24)
InChIKeyPHYDBOOJWUDWMM-UHFFFAOYSA-N
XLogP4.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-phenylmethoxybenzamide
CID 155798135
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
6-methyl-4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 171390969
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide (CID 172648851) is 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide is NC(=O)c1cc(F)c(F)c(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is PHYDBOOJWUDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO2/c21-18-11-15(20(23)24)10-17(19(18)22)14-7-4-8-16(9-14)25-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,23,24).
What are the key properties of 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide?
3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 339.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 172648851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).