3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide

C25H23F3N2O3 — CID 3688327

IUPAC3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
SMILESCC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N2O3/c1-17(15-24(32)30-20-7-5-6-18(16-20)25(26,27)28)14-23(31)29-19-10-12-22(13-11-19)33-21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,29,31)(H,30,32)
InChIKeyHGNOBTWYAGOCOK-UHFFFAOYSA-N
MW456.46 g/mol
LogP6.49
Rot. Bonds8

About 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide

3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide (PubChem CID 3688327) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
PubChem CID3688327
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
SMILESCC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H23F3N2O3/c1-17(15-24(32)30-20-7-5-6-18(16-20)25(26,27)28)14-23(31)29-19-10-12-22(13-11-19)33-21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,29,31)(H,30,32)
InChIKeyHGNOBTWYAGOCOK-UHFFFAOYSA-N
XLogP6.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30169097
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
[2-oxo-2-(3-phenoxyanilino)ethyl] 4-(trifluoromethyl)benzoate
CID 2427103
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide?
The IUPAC name of 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide (CID 3688327) is 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide.
What is the SMILES notation for 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide?
The canonical SMILES for 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide is CC(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide?
The InChIKey is HGNOBTWYAGOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-17(15-24(32)30-20-7-5-6-18(16-20)25(26,27)28)14-23(31)29-19-10-12-22(13-11-19)33-21-8-3-2-4-9-21/h2-13,16-17H,14-15H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide?
3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide has a molecular weight of 456.46 g/mol, XLogP of 6.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide is sourced from PubChem (CID 3688327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).