N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C17H23F3N2O — CID 154256896

IUPACN-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCCCN(CCC)c1ccc(NC(=O)C2CC2C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-3-9-22(10-4-2)13-7-5-12(6-8-13)21-16(23)14-11-15(14)17(18,19)20/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyOASYEBXAIYSFDU-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.45
Rot. Bonds7

About N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 154256896) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID154256896
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCCCN(CCC)c1ccc(NC(=O)C2CC2C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O/c1-3-9-22(10-4-2)13-7-5-12(6-8-13)21-16(23)14-11-15(14)17(18,19)20/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,21,23)
InChIKeyOASYEBXAIYSFDU-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 154256896) is N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is CCCN(CCC)c1ccc(NC(=O)C2CC2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is OASYEBXAIYSFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-3-9-22(10-4-2)13-7-5-12(6-8-13)21-16(23)14-11-15(14)17(18,19)20/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylamino)phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154256896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).