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

C19H17ClF3NO2 — CID 155153809

IUPAC3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
SMILESO=C(NC1CCC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H17ClF3NO2/c20-16-10-14(19(21,22)23)7-8-17(16)26-11-12-3-1-4-13(9-12)18(25)24-15-5-2-6-15/h1,3-4,7-10,15H,2,5-6,11H2,(H,24,25)
InChIKeyKDHDGINQSSVFQL-UHFFFAOYSA-N
MW383.80 g/mol
LogP5.22
Rot. Bonds5

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

3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide (PubChem CID 155153809) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
PubChem CID155153809
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide
SMILESO=C(NC1CCC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C19H17ClF3NO2/c20-16-10-14(19(21,22)23)7-8-17(16)26-11-12-3-1-4-13(9-12)18(25)24-15-5-2-6-15/h1,3-4,7-10,15H,2,5-6,11H2,(H,24,25)
InChIKeyKDHDGINQSSVFQL-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.80
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 155701604
CID 155701604
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
(2S,3R)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 155154049
(2S)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 155154216
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-5-phenylbenzoic acid
CID 155154013
3-[(2-chloro-4-formylphenoxy)methyl]benzoic acid
CID 883624
2-chloro-1-[(3-ethenylphenyl)methoxy]-4-(trifluoromethyl)benzene
CID 155146173
3-chloro-4-[2-(cyclobutylamino)-2-oxoethoxy]benzoic acid
CID 146171644
3-[(2-chloro-4-methylphenoxy)methyl]benzoic acid
CID 62669913
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide (CID 155153809) is 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide is O=C(NC1CCC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide?
The InChIKey is KDHDGINQSSVFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c20-16-10-14(19(21,22)23)7-8-17(16)26-11-12-3-1-4-13(9-12)18(25)24-15-5-2-6-15/h1,3-4,7-10,15H,2,5-6,11H2,(H,24,25).
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide?
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-cyclobutylbenzamide has a molecular weight of 383.80 g/mol, XLogP of 5.22, 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-cyclobutylbenzamide is sourced from PubChem (CID 155153809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).