N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide

C16H18F3NO2 — CID 25023822

IUPACN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)
InChIKeyJJGHOMRZTGDXDD-UHFFFAOYSA-N
MW313.32 g/mol
LogP3.74
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide

N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide (PubChem CID 25023822) has the molecular formula C16H18F3NO2 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide
PubChem CID25023822
Molecular FormulaC16H18F3NO2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC NameN-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(C(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22)
InChIKeyJJGHOMRZTGDXDD-UHFFFAOYSA-N
XLogP3.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide (CID 25023822) is N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide is O=C(NCC1CCCCC1)c1ccc(C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide?
The InChIKey is JJGHOMRZTGDXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO2/c17-16(18,19)14(21)12-6-8-13(9-7-12)15(22)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,20,22).
What are the key properties of N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide?
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide has a molecular weight of 313.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)benzamide is sourced from PubChem (CID 25023822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).