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

C21H25FN4O3 — CID 134584437

IUPAC2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)NCCc3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C21H25FN4O3/c22-19-13-17(20(27)25-23)7-6-16(19)12-18-14-26(10-11-29-18)21(28)24-9-8-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14,23H2,(H,24,28)(H,25,27)
InChIKeyFQBXUVSOJGCOLK-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.62
Rot. Bonds6

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

2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 134584437) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID134584437
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide
SMILESNNC(=O)c1ccc(CC2CN(C(=O)NCCc3ccccc3)CCO2)c(F)c1
InChIInChI=1S/C21H25FN4O3/c22-19-13-17(20(27)25-23)7-6-16(19)12-18-14-26(10-11-29-18)21(28)24-9-8-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14,23H2,(H,24,28)(H,25,27)
InChIKeyFQBXUVSOJGCOLK-UHFFFAOYSA-N
XLogP1.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.62
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-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide (CID 134584437) is 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide is NNC(=O)c1ccc(CC2CN(C(=O)NCCc3ccccc3)CCO2)c(F)c1.
What is the InChIKey of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is FQBXUVSOJGCOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c22-19-13-17(20(27)25-23)7-6-16(19)12-18-14-26(10-11-29-18)21(28)24-9-8-15-4-2-1-3-5-15/h1-7,13,18H,8-12,14,23H2,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide?
2-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 1.62, 6 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-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 134584437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).