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

C20H23FN4O3 — CID 134584007

IUPAC2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3ccc(C(=O)NN)cc3)CCO2)c(F)c1
InChIInChI=1S/C20H23FN4O3/c1-13-2-7-16(17(21)10-13)18-12-25(8-9-28-18)20(27)23-11-14-3-5-15(6-4-14)19(26)24-22/h2-7,10,18H,8-9,11-12,22H2,1H3,(H,23,27)(H,24,26)
InChIKeyWRGZXZNMOGVQFU-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.02
Rot. Bonds4

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

2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 134584007) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
PubChem CID134584007
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide
SMILESCc1ccc(C2CN(C(=O)NCc3ccc(C(=O)NN)cc3)CCO2)c(F)c1
InChIInChI=1S/C20H23FN4O3/c1-13-2-7-16(17(21)10-13)18-12-25(8-9-28-18)20(27)23-11-14-3-5-15(6-4-14)19(26)24-22/h2-7,10,18H,8-9,11-12,22H2,1H3,(H,23,27)(H,24,26)
InChIKeyWRGZXZNMOGVQFU-UHFFFAOYSA-N
XLogP2.02
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.02
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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Related Compounds

4-fluoro-N-[5-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidin-3-yl]benzamide
CID 121493767
3,4-difluoro-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892552
N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 16894766
N-[2-oxo-2-(2-phenyl-4-morpholinyl)ethyl]3,4-difluorobenzamide
CID 16894802
Methyl 4-{[2-(3-fluorobenzyl)-4-morpholinyl]carbonyl}benzoate
CID 45207715
4-ethyl-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892501
2,6-difluoro-N-(2-(2-phenylmorpholino)ethyl)benzamide
CID 16892407
3-fluoro-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16892430
3,4-difluoro-N-(2-(2-phenylmorpholino)ethyl)benzamide
CID 16892458
2,6-difluoro-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892502
3-fluoro-N-(3-(2-phenylmorpholino)propyl)benzamide
CID 16892525
N-(4-(2-phenylmorpholino)butyl)-3-(trifluoromethyl)benzamide
CID 16892603

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide (CID 134584007) is 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is Cc1ccc(C2CN(C(=O)NCc3ccc(C(=O)NN)cc3)CCO2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is WRGZXZNMOGVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13-2-7-16(17(21)10-13)18-12-25(8-9-28-18)20(27)23-11-14-3-5-15(6-4-14)19(26)24-22/h2-7,10,18H,8-9,11-12,22H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide?
2-(2-fluoro-4-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.02, 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-methylphenyl)-N-[[4-(hydrazinecarbonyl)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 134584007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).