N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide

C16H20F3NO — CID 63482414

IUPACN-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
SMILESCCC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)12-7-13(17)15(19)14(18)8-12/h7-8,10-11H,2-6,9H2,1H3,(H,20,21)
InChIKeyXUMGJPIYVHDISS-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.05
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide

N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide (PubChem CID 63482414) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
PubChem CID63482414
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
SMILESCCC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)12-7-13(17)15(19)14(18)8-12/h7-8,10-11H,2-6,9H2,1H3,(H,20,21)
InChIKeyXUMGJPIYVHDISS-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-(cyclopropylmethyl)-3,4-difluoro-5-piperidin-4-ylbenzamide;hydrochloride
CID 172648880
N-[(2,2-dimethylcyclopropyl)methyl]-3,4,5-trifluorobenzamide
CID 113234698
5-bromo-N-[(4-ethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 63525997
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
1-(4-ethylcyclohexyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63451508
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
N-[3-(cyclopropylmethoxy)propyl]-3,4,5-trifluorobenzamide
CID 63189178
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
CID 81480761
4-[(4-ethylcyclohexyl)methylamino]-3,5-difluorobenzoic acid
CID 63537188

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide (CID 63482414) is N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide is CCC1CCC(CNC(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide?
The InChIKey is XUMGJPIYVHDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-2-10-3-5-11(6-4-10)9-20-16(21)12-7-13(17)15(19)14(18)8-12/h7-8,10-11H,2-6,9H2,1H3,(H,20,21).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide?
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide has a molecular weight of 299.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63482414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).