3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide

C20H20Cl2F3NO — CID 162407656

IUPAC3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide
SMILESCC(C)(CCC(c1ccccc1)C(F)(F)F)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H20Cl2F3NO/c1-19(2,26-18(27)14-10-15(21)12-16(22)11-14)9-8-17(20(23,24)25)13-6-4-3-5-7-13/h3-7,10-12,17H,8-9H2,1-2H3,(H,26,27)
InChIKeyNZDYEXLSRBEJDJ-UHFFFAOYSA-N
MW418.29 g/mol
LogP6.63
Rot. Bonds6

About 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide

3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide (PubChem CID 162407656) has the molecular formula C20H20Cl2F3NO and a molecular weight of 418.29 g/mol. Its IUPAC name is 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide
PubChem CID162407656
Molecular FormulaC20H20Cl2F3NO
Molecular Weight418.29 g/mol
Exact Mass417.09
IUPAC Name3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide
SMILESCC(C)(CCC(c1ccccc1)C(F)(F)F)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H20Cl2F3NO/c1-19(2,26-18(27)14-10-15(21)12-16(22)11-14)9-8-17(20(23,24)25)13-6-4-3-5-7-13/h3-7,10-12,17H,8-9H2,1-2H3,(H,26,27)
InChIKeyNZDYEXLSRBEJDJ-UHFFFAOYSA-N
XLogP6.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 32154
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3,5-Dichloro-N-(3-(trifluoromethyl)benzyl)benzenecarboxamide
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CID 46891077
2-(3-chlorophenyl)-6-fluoro-N-[[(3S,4R)-4-fluoro-3-methylpiperidin-4-yl]methyl]benzamide
CID 46891179
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-methyl-4-phenyl-2H-pyrrol-5-one
CID 15754263
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CID 46887729
N-[1-(4-chlorophenyl)-2,3-dimethyl-1-oxobutan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide?
The IUPAC name of 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide (CID 162407656) is 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide is CC(C)(CCC(c1ccccc1)C(F)(F)F)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide?
The InChIKey is NZDYEXLSRBEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F3NO/c1-19(2,26-18(27)14-10-15(21)12-16(22)11-14)9-8-17(20(23,24)25)13-6-4-3-5-7-13/h3-7,10-12,17H,8-9H2,1-2H3,(H,26,27).
What are the key properties of 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide?
3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide has a molecular weight of 418.29 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(6,6,6-trifluoro-2-methyl-5-phenylhexan-2-yl)benzamide is sourced from PubChem (CID 162407656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).