N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C13H13F3N2O2 — CID 4785645

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)17-7-11(19)18-10-5-6-10/h1-4,10H,5-7H2,(H,17,20)(H,18,19)
InChIKeyNPXXAOUYCOWTLF-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 4785645) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID4785645
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)17-7-11(19)18-10-5-6-10/h1-4,10H,5-7H2,(H,17,20)(H,18,19)
InChIKeyNPXXAOUYCOWTLF-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 4785645) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NPXXAOUYCOWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)9-3-1-8(2-4-9)12(20)17-7-11(19)18-10-5-6-10/h1-4,10H,5-7H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 286.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4785645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).