N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide

C21H15ClF3NO2 — CID 2288753

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H15ClF3NO2/c22-18-10-9-16(21(23,24)25)12-19(18)26-20(27)15-7-4-8-17(11-15)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)
InChIKeyXHURJIVGXQNHDQ-UHFFFAOYSA-N
MW405.80 g/mol
LogP6.19
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide (PubChem CID 2288753) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
PubChem CID2288753
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C21H15ClF3NO2/c22-18-10-9-16(21(23,24)25)12-19(18)26-20(27)15-7-4-8-17(11-15)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27)
InChIKeyXHURJIVGXQNHDQ-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

3-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24685517
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 4134181
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
actinium;[2-[[3-[[4-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]phenyl]sulfonylazanide
CID 59057416
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493138
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500883
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide (CID 2288753) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide?
The InChIKey is XHURJIVGXQNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c22-18-10-9-16(21(23,24)25)12-19(18)26-20(27)15-7-4-8-17(11-15)28-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,26,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide 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 N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 2288753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).