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

C22H17ClF3NO2 — CID 155451593

IUPAC2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(OCCc2ccccc2)cc1Cl
InChIInChI=1S/C22H17ClF3NO2/c23-19-14-16(29-13-12-15-6-2-1-3-7-15)10-11-17(19)21(28)27-20-9-5-4-8-18(20)22(24,25)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyCFRARFZXDFARJO-UHFFFAOYSA-N
MW419.83 g/mol
LogP6.23
Rot. Bonds6

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

2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 155451593) has the molecular formula C22H17ClF3NO2 and a molecular weight of 419.83 g/mol. Its IUPAC name is 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID155451593
Molecular FormulaC22H17ClF3NO2
Molecular Weight419.83 g/mol
Exact Mass419.09
IUPAC Name2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(OCCc2ccccc2)cc1Cl
InChIInChI=1S/C22H17ClF3NO2/c23-19-14-16(29-13-12-15-6-2-1-3-7-15)10-11-17(19)21(28)27-20-9-5-4-8-18(20)22(24,25)26/h1-11,14H,12-13H2,(H,27,28)
InChIKeyCFRARFZXDFARJO-UHFFFAOYSA-N
XLogP6.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.83
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 92680505
2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
3-[3-[[2,6-dimethyl-4-(2-phenylethoxy)benzoyl]amino]-4-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 155451518
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
4-[2-(2-fluoro-4-methylphenyl)ethoxy]-2,6-dimethyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 167140918
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide (CID 155451593) is 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCCc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CFRARFZXDFARJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3NO2/c23-19-14-16(29-13-12-15-6-2-1-3-7-15)10-11-17(19)21(28)27-20-9-5-4-8-18(20)22(24,25)26/h1-11,14H,12-13H2,(H,27,28).
What are the key properties of 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide?
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 419.83 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155451593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).