N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide

C15H19F3N2O — CID 109013531

IUPACN-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-4-3-7-13(10-11)19-9-8-14(21)20-12-5-1-2-6-12/h3-4,7,10,12,19H,1-2,5-6,8-9H2,(H,20,21)
InChIKeyODQZESHYEKXNTK-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.57
Rot. Bonds5

About N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide

N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 109013531) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
PubChem CID109013531
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)11-4-3-7-13(10-11)19-9-8-14(21)20-12-5-1-2-6-12/h3-4,7,10,12,19H,1-2,5-6,8-9H2,(H,20,21)
InChIKeyODQZESHYEKXNTK-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-3-[3-(trifluoromethyl)anilino]propanamide
CID 109031498
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
3-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 109014056
N-cyclohexyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanamide
CID 60547814
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide (CID 109013531) is N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide is O=C(CCNc1cccc(C(F)(F)F)c1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is ODQZESHYEKXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)11-4-3-7-13(10-11)19-9-8-14(21)20-12-5-1-2-6-12/h3-4,7,10,12,19H,1-2,5-6,8-9H2,(H,20,21).
What are the key properties of N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide?
N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109013531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).