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

C19H21FN4O3 — CID 134584163

IUPAC2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H21FN4O3/c20-16-7-5-14(6-8-16)17-12-24(9-10-27-17)19(26)22-11-13-1-3-15(4-2-13)18(25)23-21/h1-8,17H,9-12,21H2,(H,22,26)(H,23,25)
InChIKeyNAKGMZRBQSLXNX-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.71
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 134584163) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID134584163
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H21FN4O3/c20-16-7-5-14(6-8-16)17-12-24(9-10-27-17)19(26)22-11-13-1-3-15(4-2-13)18(25)23-21/h1-8,17H,9-12,21H2,(H,22,26)(H,23,25)
InChIKeyNAKGMZRBQSLXNX-UHFFFAOYSA-N
XLogP1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.71
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-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (CID 134584163) is 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is NNC(=O)c1ccc(CNC(=O)N2CCOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is NAKGMZRBQSLXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-16-7-5-14(6-8-16)17-12-24(9-10-27-17)19(26)22-11-13-1-3-15(4-2-13)18(25)23-21/h1-8,17H,9-12,21H2,(H,22,26)(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 134584163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).