N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide

C16H20F3NO — CID 63189612

IUPACN-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
SMILESCCC(NC(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h8-10,14H,2-7H2,1H3,(H,20,21)
InChIKeyDNKFTWFGAPJCFM-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.19
Rot. Bonds4

About N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide

N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide (PubChem CID 63189612) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
PubChem CID63189612
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC NameN-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
SMILESCCC(NC(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H20F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h8-10,14H,2-7H2,1H3,(H,20,21)
InChIKeyDNKFTWFGAPJCFM-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
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

N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
4-(1-cyclohexylpropylamino)-3,5-difluorobenzoic acid
CID 63539369
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
CID 63499195
N-(1-cyclohexylpropyl)-1H-indole-5-carboxamide
CID 63718650
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
4-amino-N-(1-cyclohexylpropyl)-3-methoxybenzamide
CID 104782852
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide?
The IUPAC name of N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide (CID 63189612) is N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide is CCC(NC(=O)c1cc(F)c(F)c(F)c1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide?
The InChIKey is DNKFTWFGAPJCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-2-14(10-6-4-3-5-7-10)20-16(21)11-8-12(17)15(19)13(18)9-11/h8-10,14H,2-7H2,1H3,(H,20,21).
What are the key properties of N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide?
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide has a molecular weight of 299.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide is sourced from PubChem (CID 63189612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).