N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide

C26H25ClF3NO2 — CID 141063881

IUPACN-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(COc2ccccc2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C26H25ClF3NO2/c1-17(2)13-24(22-15-20(26(28,29)30)11-12-23(22)27)31-25(32)19-8-6-7-18(14-19)16-33-21-9-4-3-5-10-21/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,31,32)
InChIKeyPMFRFPPVRWATSC-UHFFFAOYSA-N
MW475.94 g/mol
LogP7.45
Rot. Bonds8

About N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide

N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide (PubChem CID 141063881) has the molecular formula C26H25ClF3NO2 and a molecular weight of 475.94 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide
PubChem CID141063881
Molecular FormulaC26H25ClF3NO2
Molecular Weight475.94 g/mol
Exact Mass475.15
IUPAC NameN-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide
SMILESCC(C)CC(NC(=O)c1cccc(COc2ccccc2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C26H25ClF3NO2/c1-17(2)13-24(22-15-20(26(28,29)30)11-12-23(22)27)31-25(32)19-8-6-7-18(14-19)16-33-21-9-4-3-5-10-21/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,31,32)
InChIKeyPMFRFPPVRWATSC-UHFFFAOYSA-N
XLogP7.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,4-dimethylphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063928
N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141169370
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016
(2S,3R)-2-[[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 155154049
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
3-[(4-chlorophenoxy)methyl]-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
CID 4134181
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-phenylbenzamide
CID 155154021
N-[3-(phenoxymethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 91610384
3-[(4-chlorophenoxy)methyl]-N-[1-(4-propan-2-ylphenyl)propyl]benzamide
CID 3392443
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
N-[1-(4-chloro-2-fluorophenyl)-3-methylbutyl]-5-(phenoxymethyl)-2-propylbenzamide
CID 142213902

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The IUPAC name of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide (CID 141063881) is N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The canonical SMILES for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide is CC(C)CC(NC(=O)c1cccc(COc2ccccc2)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide?
The InChIKey is PMFRFPPVRWATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF3NO2/c1-17(2)13-24(22-15-20(26(28,29)30)11-12-23(22)27)31-25(32)19-8-6-7-18(14-19)16-33-21-9-4-3-5-10-21/h3-12,14-15,17,24H,13,16H2,1-2H3,(H,31,32).
What are the key properties of N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide?
N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide has a molecular weight of 475.94 g/mol, XLogP of 7.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]-3-(phenoxymethyl)benzamide is sourced from PubChem (CID 141063881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).