3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide

C10H15ClF3NO — CID 43701255

IUPAC3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15ClF3NO/c11-6-5-9(16)15-8-3-1-7(2-4-8)10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyXNZPPAPZFLJLRU-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.85
Rot. Bonds3

About 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide

3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 43701255) has the molecular formula C10H15ClF3NO and a molecular weight of 257.68 g/mol. Its IUPAC name is 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID43701255
Molecular FormulaC10H15ClF3NO
Molecular Weight257.68 g/mol
Exact Mass257.08
IUPAC Name3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
SMILESO=C(CCCl)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15ClF3NO/c11-6-5-9(16)15-8-3-1-7(2-4-8)10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyXNZPPAPZFLJLRU-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 114014776
3-chloro-N-cycloheptylpropanamide
CID 5152151
4-chloro-N-cyclopropylbutanamide
CID 5152347
3-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 43568420
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
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide (CID 43701255) is 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide is O=C(CCCl)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is XNZPPAPZFLJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO/c11-6-5-9(16)15-8-3-1-7(2-4-8)10(12,13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide?
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 257.68 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 43701255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).