3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide

C21H15ClF3NO2 — CID 155154021

IUPAC3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C21H15ClF3NO2/c22-18-12-16(21(23,24)25)9-10-19(18)28-13-14-5-4-6-15(11-14)20(27)26-17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27)
InChIKeyMMPLAVIITNNMJR-UHFFFAOYSA-N
MW405.80 g/mol
LogP6.19
Rot. Bonds5

About 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide

3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide (PubChem CID 155154021) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
PubChem CID155154021
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C21H15ClF3NO2/c22-18-12-16(21(23,24)25)9-10-19(18)28-13-14-5-4-6-15(11-14)20(27)26-17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27)
InChIKeyMMPLAVIITNNMJR-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-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
CID 155153809
(2S,3R)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 155154049
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-phenylbenzoic acid
CID 155154013
4-ethoxy-3-phenylmethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5002030
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
CID 155701604
CID 155701604
(2S)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 155154216
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
2,3,4,5-tetrabromo-6-[[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamoyl]benzoic acid
CID 88887329
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 4134181

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide (CID 155154021) is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide?
The InChIKey is MMPLAVIITNNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c22-18-12-16(21(23,24)25)9-10-19(18)28-13-14-5-4-6-15(11-14)20(27)26-17-7-2-1-3-8-17/h1-12H,13H2,(H,26,27).
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide?
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide 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 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide is sourced from PubChem (CID 155154021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).