N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide

C12H15FN4O3 — CID 79681361

IUPACN-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
SMILESNC(=NO)C1CN(C(=O)Nc2cccc(F)c2)CCO1
InChIInChI=1S/C12H15FN4O3/c13-8-2-1-3-9(6-8)15-12(18)17-4-5-20-10(7-17)11(14)16-19/h1-3,6,10,19H,4-5,7H2,(H2,14,16)(H,15,18)
InChIKeyWDFRZLHIUOGTAA-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.80
Rot. Bonds2

About N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide

N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide (PubChem CID 79681361) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
PubChem CID79681361
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC NameN-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
SMILESNC(=NO)C1CN(C(=O)Nc2cccc(F)c2)CCO1
InChIInChI=1S/C12H15FN4O3/c13-8-2-1-3-9(6-8)15-12(18)17-4-5-20-10(7-17)11(14)16-19/h1-3,6,10,19H,4-5,7H2,(H2,14,16)(H,15,18)
InChIKeyWDFRZLHIUOGTAA-UHFFFAOYSA-N
XLogP0.80
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 79675785
methyl 4-[(3-methylphenyl)carbamoyl]morpholine-2-carboxylate
CID 78927184
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984
2-(aminomethyl)-N-(3-fluorophenyl)-6-methylmorpholine-4-carboxamide
CID 102938478
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide (CID 79681361) is N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide is NC(=NO)C1CN(C(=O)Nc2cccc(F)c2)CCO1.
What is the InChIKey of N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide?
The InChIKey is WDFRZLHIUOGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c13-8-2-1-3-9(6-8)15-12(18)17-4-5-20-10(7-17)11(14)16-19/h1-3,6,10,19H,4-5,7H2,(H2,14,16)(H,15,18).
What are the key properties of N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide?
N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide has a molecular weight of 282.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide is sourced from PubChem (CID 79681361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).