N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide

C18H18F3N5O2 — CID 71072688

IUPACN-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide
SMILESCn1nncc1-c1coc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2/c1-26-15(9-23-25-26)12-7-16(28-10-12)17(27)24-13(8-22)6-11-4-2-3-5-14(11)18(19,20)21/h2-5,7,9-10,13H,6,8,22H2,1H3,(H,24,27)
InChIKeyVNWFDHJBENWRRI-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.39
Rot. Bonds6

About N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide (PubChem CID 71072688) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide
PubChem CID71072688
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC NameN-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide
SMILESCn1nncc1-c1coc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C18H18F3N5O2/c1-26-15(9-23-25-26)12-7-16(28-10-12)17(27)24-13(8-22)6-11-4-2-3-5-14(11)18(19,20)21/h2-5,7,9-10,13H,6,8,22H2,1H3,(H,24,27)
InChIKeyVNWFDHJBENWRRI-UHFFFAOYSA-N
XLogP2.39
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide (CID 71072688) is N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide is Cn1nncc1-c1coc(C(=O)NC(CN)Cc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide?
The InChIKey is VNWFDHJBENWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-26-15(9-23-25-26)12-7-16(28-10-12)17(27)24-13(8-22)6-11-4-2-3-5-14(11)18(19,20)21/h2-5,7,9-10,13H,6,8,22H2,1H3,(H,24,27).
What are the key properties of N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide?
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(3-methyltriazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 71072688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).