N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide

C19H19FN2O3 — CID 111110774

IUPACN'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCCc2ccccc21)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN2O3/c20-14-7-3-8-15(11-14)22-18(24)17(23)21-12-19(25)10-4-6-13-5-1-2-9-16(13)19/h1-3,5,7-9,11,25H,4,6,10,12H2,(H,21,23)(H,22,24)
InChIKeyNTXKYKSYHUXSEZ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.10
Rot. Bonds3

About N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide

N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide (PubChem CID 111110774) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
PubChem CID111110774
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
SMILESO=C(NCC1(O)CCCc2ccccc21)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19FN2O3/c20-14-7-3-8-15(11-14)22-18(24)17(23)21-12-19(25)10-4-6-13-5-1-2-9-16(13)19/h1-3,5,7-9,11,25H,4,6,10,12H2,(H,21,23)(H,22,24)
InChIKeyNTXKYKSYHUXSEZ-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.10
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'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide (CID 111110774) is N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide is O=C(NCC1(O)CCCc2ccccc21)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide?
The InChIKey is NTXKYKSYHUXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-14-7-3-8-15(11-14)22-18(24)17(23)21-12-19(25)10-4-6-13-5-1-2-9-16(13)19/h1-3,5,7-9,11,25H,4,6,10,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide?
N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide is sourced from PubChem (CID 111110774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).