2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide

C19H21FN4O2S — CID 134583995

IUPAC2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCS2)c(F)c1
InChIInChI=1S/C19H21FN4O2S/c20-17-11-14(18(25)23-21)7-6-13(17)10-16-12-24(8-9-27-16)19(26)22-15-4-2-1-3-5-15/h1-7,11,16H,8-10,12,21H2,(H,22,26)(H,23,25)
InChIKeyYCZLKOXZRRPXLO-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.62
Rot. Bonds4

About 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide

2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide (PubChem CID 134583995) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
PubChem CID134583995
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCS2)c(F)c1
InChIInChI=1S/C19H21FN4O2S/c20-17-11-14(18(25)23-21)7-6-13(17)10-16-12-24(8-9-27-16)19(26)22-15-4-2-1-3-5-15/h1-7,11,16H,8-10,12,21H2,(H,22,26)(H,23,25)
InChIKeyYCZLKOXZRRPXLO-UHFFFAOYSA-N
XLogP2.62
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.62
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-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide?
The IUPAC name of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide (CID 134583995) is 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide.
What is the SMILES notation for 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide?
The canonical SMILES for 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide is NNC(=O)c1ccc(CC2CN(C(=O)Nc3ccccc3)CCS2)c(F)c1.
What is the InChIKey of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide?
The InChIKey is YCZLKOXZRRPXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c20-17-11-14(18(25)23-21)7-6-13(17)10-16-12-24(8-9-27-16)19(26)22-15-4-2-1-3-5-15/h1-7,11,16H,8-10,12,21H2,(H,22,26)(H,23,25).
What are the key properties of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide?
2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide is sourced from PubChem (CID 134583995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).