2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide

C19H20F2N4O3 — CID 134584205

IUPAC2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C19H20F2N4O3/c20-14-5-6-15(16(21)9-14)17-11-25(7-8-28-17)19(27)23-10-12-1-3-13(4-2-12)18(26)24-22/h1-6,9,17H,7-8,10-11,22H2,(H,23,27)(H,24,26)
InChIKeyRVCRJZXCXLLHBL-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.85
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide

2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 134584205) has the molecular formula C19H20F2N4O3 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID134584205
Molecular FormulaC19H20F2N4O3
Molecular Weight390.39 g/mol
Exact Mass390.15
IUPAC Name2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3F)C2)cc1
InChIInChI=1S/C19H20F2N4O3/c20-14-5-6-15(16(21)9-14)17-11-25(7-8-28-17)19(27)23-10-12-1-3-13(4-2-12)18(26)24-22/h1-6,9,17H,7-8,10-11,22H2,(H,23,27)(H,24,26)
InChIKeyRVCRJZXCXLLHBL-UHFFFAOYSA-N
XLogP1.85
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (CID 134584205) is 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is NNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3F)C2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is RVCRJZXCXLLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O3/c20-14-5-6-15(16(21)9-14)17-11-25(7-8-28-17)19(27)23-10-12-1-3-13(4-2-12)18(26)24-22/h1-6,9,17H,7-8,10-11,22H2,(H,23,27)(H,24,26).
What are the key properties of 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 134584205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).