4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide

C21H15ClF3NO2 — CID 8813320

IUPAC4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClF3NO2/c22-18-7-3-1-5-15(18)13-28-16-11-9-14(10-12-16)20(27)26-19-8-4-2-6-17(19)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyVFAWPRYUNSMOCY-UHFFFAOYSA-N
MW405.80 g/mol
LogP6.19
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide

4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 8813320) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID8813320
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H15ClF3NO2/c22-18-7-3-1-5-15(18)13-28-16-11-9-14(10-12-16)20(27)26-19-8-4-2-6-17(19)21(23,24)25/h1-12H,13H2,(H,26,27)
InChIKeyVFAWPRYUNSMOCY-UHFFFAOYSA-N
XLogP6.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.80
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 19916448
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
4-[(2-chlorophenyl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 19916445
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide (CID 8813320) is 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VFAWPRYUNSMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c22-18-7-3-1-5-15(18)13-28-16-11-9-14(10-12-16)20(27)26-19-8-4-2-6-17(19)21(23,24)25/h1-12H,13H2,(H,26,27).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide?
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 405.80 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 8813320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).