N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide

C17H23F3N2O — CID 12862600

IUPACN-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCCC1N(C)C
InChIInChI=1S/C17H23F3N2O/c1-4-16(23)22(15-7-5-6-14(15)21(2)3)13-10-8-12(9-11-13)17(18,19)20/h8-11,14-15H,4-7H2,1-3H3
InChIKeyJPHNQGBDWVDAIV-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide

N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 12862600) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID12862600
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCCC1N(C)C
InChIInChI=1S/C17H23F3N2O/c1-4-16(23)22(15-7-5-6-14(15)21(2)3)13-10-8-12(9-11-13)17(18,19)20/h8-11,14-15H,4-7H2,1-3H3
InChIKeyJPHNQGBDWVDAIV-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 12862600) is N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide is CCC(=O)N(c1ccc(C(F)(F)F)cc1)C1CCCC1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JPHNQGBDWVDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-4-16(23)22(15-7-5-6-14(15)21(2)3)13-10-8-12(9-11-13)17(18,19)20/h8-11,14-15H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)cyclopentyl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 12862600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).