N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

C19H17F3N2O3 — CID 91631241

IUPACN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)14-5-7-15(8-6-14)24-17(26)16(25)23-11-18(27)9-12-3-1-2-4-13(12)10-18/h1-8,27H,9-11H2,(H,23,25)(H,24,26)
InChIKeyPAIBTXMJFVVVNH-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.29
Rot. Bonds3

About N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide

N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 91631241) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID91631241
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)14-5-7-15(8-6-14)24-17(26)16(25)23-11-18(27)9-12-3-1-2-4-13(12)10-18/h1-8,27H,9-11H2,(H,23,25)(H,24,26)
InChIKeyPAIBTXMJFVVVNH-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide 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-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 91631241) is N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is PAIBTXMJFVVVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)14-5-7-15(8-6-14)24-17(26)16(25)23-11-18(27)9-12-3-1-2-4-13(12)10-18/h1-8,27H,9-11H2,(H,23,25)(H,24,26).
What are the key properties of N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 378.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 91631241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).