3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide

C16H20ClF3N2O — CID 109014086

IUPAC3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
SMILESO=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C16H20ClF3N2O/c17-14-7-6-12(10-13(14)16(18,19)20)21-9-8-15(23)22-11-4-2-1-3-5-11/h6-7,10-11,21H,1-5,8-9H2,(H,22,23)
InChIKeyIWMIIEVHZYCTDT-UHFFFAOYSA-N
MW348.80 g/mol
LogP4.61
Rot. Bonds5

About 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide

3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide (PubChem CID 109014086) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
PubChem CID109014086
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC Name3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
SMILESO=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCC1
InChIInChI=1S/C16H20ClF3N2O/c17-14-7-6-12(10-13(14)16(18,19)20)21-9-8-15(23)22-11-4-2-1-3-5-11/h6-7,10-11,21H,1-5,8-9H2,(H,22,23)
InChIKeyIWMIIEVHZYCTDT-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109013531
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 109015962
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-cycloheptylthiourea
CID 100601519
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
CID 84515951

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide (CID 109014086) is 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide is O=C(CCNc1ccc(Cl)c(C(F)(F)F)c1)NC1CCCCC1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide?
The InChIKey is IWMIIEVHZYCTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O/c17-14-7-6-12(10-13(14)16(18,19)20)21-9-8-15(23)22-11-4-2-1-3-5-11/h6-7,10-11,21H,1-5,8-9H2,(H,22,23).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide?
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide has a molecular weight of 348.80 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide is sourced from PubChem (CID 109014086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).