3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride

C18H20ClF3N2O2 — CID 119303213

IUPAC3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)15-4-2-1-3-14(15)16-8-7-13(25-16)11-23(12-5-6-12)17(24)9-10-22;/h1-4,7-8,12H,5-6,9-11,22H2;1H
InChIKeyZAODMAOAOFMSSE-UHFFFAOYSA-N
MW388.82 g/mol
LogP4.23
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride

3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride (PubChem CID 119303213) has the molecular formula C18H20ClF3N2O2 and a molecular weight of 388.82 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
PubChem CID119303213
Molecular FormulaC18H20ClF3N2O2
Molecular Weight388.82 g/mol
Exact Mass388.12
IUPAC Name3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1
InChIInChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)15-4-2-1-3-14(15)16-8-7-13(25-16)11-23(12-5-6-12)17(24)9-10-22;/h1-4,7-8,12H,5-6,9-11,22H2;1H
InChIKeyZAODMAOAOFMSSE-UHFFFAOYSA-N
XLogP4.23
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride (CID 119303213) is 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)N(Cc1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is ZAODMAOAOFMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2.ClH/c19-18(20,21)15-4-2-1-3-14(15)16-8-7-13(25-16)11-23(12-5-6-12)17(24)9-10-22;/h1-4,7-8,12H,5-6,9-11,22H2;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119303213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).