3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

C21H14ClF4NO2 — CID 4134181

IUPAC3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H14ClF4NO2/c22-16-5-7-17(8-6-16)29-12-13-2-1-3-14(10-13)20(28)27-19-11-15(21(24,25)26)4-9-18(19)23/h1-11H,12H2,(H,27,28)
InChIKeyUTGZKICHXCDUJL-UHFFFAOYSA-N
MW423.79 g/mol
LogP6.33
Rot. Bonds5

About 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 4134181) has the molecular formula C21H14ClF4NO2 and a molecular weight of 423.79 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID4134181
Molecular FormulaC21H14ClF4NO2
Molecular Weight423.79 g/mol
Exact Mass423.06
IUPAC Name3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H14ClF4NO2/c22-16-5-7-17(8-6-16)29-12-13-2-1-3-14(10-13)20(28)27-19-11-15(21(24,25)26)4-9-18(19)23/h1-11H,12H2,(H,27,28)
InChIKeyUTGZKICHXCDUJL-UHFFFAOYSA-N
XLogP6.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.79
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
3-[(4-chlorophenoxy)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345780
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
3-[(4-chlorophenoxy)methyl]-N-(3-nitrophenyl)benzamide
CID 1225516
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
3-[(4-tert-butylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346925
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 4765536

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (CID 4134181) is 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1F)c1cccc(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UTGZKICHXCDUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF4NO2/c22-16-5-7-17(8-6-16)29-12-13-2-1-3-14(10-13)20(28)27-19-11-15(21(24,25)26)4-9-18(19)23/h1-11H,12H2,(H,27,28).
What are the key properties of 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 423.79 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4134181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).