5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

C12H19BrF3NO — CID 114014776

IUPAC5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCBr)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19BrF3NO/c13-8-2-1-3-11(18)17-10-6-4-9(5-7-10)12(14,15)16/h9-10H,1-8H2,(H,17,18)
InChIKeyMJWCVIULWLTQGJ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 114014776) has the molecular formula C12H19BrF3NO and a molecular weight of 330.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID114014776
Molecular FormulaC12H19BrF3NO
Molecular Weight330.19 g/mol
Exact Mass329.06
IUPAC Name5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESO=C(CCCCBr)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H19BrF3NO/c13-8-2-1-3-11(18)17-10-6-4-9(5-7-10)12(14,15)16/h9-10H,1-8H2,(H,17,18)
InChIKeyMJWCVIULWLTQGJ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
4-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
N,N'-dicyclopropyldecanediamide
CID 4668836
5-bromo-N-(3-hydroxycyclobutyl)pentanamide
CID 107910240
5-bromo-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)pentanamide
CID 165458218
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 60718312
N,N'-dicyclopropylbutanediamide
CID 5225156
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 114014776) is 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is O=C(CCCCBr)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is MJWCVIULWLTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrF3NO/c13-8-2-1-3-11(18)17-10-6-4-9(5-7-10)12(14,15)16/h9-10H,1-8H2,(H,17,18).
What are the key properties of 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 330.19 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 114014776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).