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

C21H14Cl2F3NO2 — CID 19916448

IUPAC4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H14Cl2F3NO2/c22-15-7-10-19(17(11-15)21(24,25)26)27-20(28)13-5-8-16(9-6-13)29-12-14-3-1-2-4-18(14)23/h1-11H,12H2,(H,27,28)
InChIKeyNHVKJDMBOZBFLH-UHFFFAOYSA-N
MW440.25 g/mol
LogP6.84
Rot. Bonds5

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

4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 19916448) has the molecular formula C21H14Cl2F3NO2 and a molecular weight of 440.25 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID19916448
Molecular FormulaC21H14Cl2F3NO2
Molecular Weight440.25 g/mol
Exact Mass439.04
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H14Cl2F3NO2/c22-15-7-10-19(17(11-15)21(24,25)26)27-20(28)13-5-8-16(9-6-13)29-12-14-3-1-2-4-18(14)23/h1-11H,12H2,(H,27,28)
InChIKeyNHVKJDMBOZBFLH-UHFFFAOYSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.25
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
1-[(4-chlorophenoxy)methyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108885341
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-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (CID 19916448) is 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NHVKJDMBOZBFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3NO2/c22-15-7-10-19(17(11-15)21(24,25)26)27-20(28)13-5-8-16(9-6-13)29-12-14-3-1-2-4-18(14)23/h1-11H,12H2,(H,27,28).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 440.25 g/mol, XLogP of 6.84, 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-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 19916448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).