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

C19H17F3N2O3 — CID 71782210

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)13-5-3-6-14(10-13)24-17(26)16(25)23-11-18(27)9-8-12-4-1-2-7-15(12)18/h1-7,10,27H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeySZYTXAPKGPLTDH-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.59
Rot. Bonds3

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

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 71782210) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID71782210
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)13-5-3-6-14(10-13)24-17(26)16(25)23-11-18(27)9-8-12-4-1-2-7-15(12)18/h1-7,10,27H,8-9,11H2,(H,23,25)(H,24,26)
InChIKeySZYTXAPKGPLTDH-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 71782210) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is O=C(NCC1(O)CCc2ccccc21)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is SZYTXAPKGPLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)13-5-3-6-14(10-13)24-17(26)16(25)23-11-18(27)9-8-12-4-1-2-7-15(12)18/h1-7,10,27H,8-9,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 378.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 71782210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).