2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide

C12H15FN4O2 — CID 79675785

IUPAC2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
SMILES[H]/N=C(\N)C1CN(C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C12H15FN4O2/c13-8-1-3-9(4-2-8)16-12(18)17-5-6-19-10(7-17)11(14)15/h1-4,10H,5-7H2,(H3,14,15)(H,16,18)
InChIKeyNBHITZRUONMTLD-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.99
Rot. Bonds2

About 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide

2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide (PubChem CID 79675785) has the molecular formula C12H15FN4O2 and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
PubChem CID79675785
Molecular FormulaC12H15FN4O2
Molecular Weight266.28 g/mol
Exact Mass266.12
IUPAC Name2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide
SMILES[H]/N=C(\N)C1CN(C(=O)Nc2ccc(F)cc2)CCO1
InChIInChI=1S/C12H15FN4O2/c13-8-1-3-9(4-2-8)16-12(18)17-5-6-19-10(7-17)11(14)15/h1-4,10H,5-7H2,(H3,14,15)(H,16,18)
InChIKeyNBHITZRUONMTLD-UHFFFAOYSA-N
XLogP0.99
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclobutyl-4-N-(4-fluorophenyl)morpholine-2,4-dicarboxamide
CID 56911131
2-carbamimidoyl-N-cyclobutylmorpholine-4-carboxamide
CID 116658982
2-carbamothioyl-N-(4-chlorophenyl)morpholine-4-carboxamide
CID 79674938
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
2-(4-fluorophenyl)-N-(4-iodophenyl)morpholine-4-carboxamide
CID 55696920
N-(3-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)morpholine-4-carboxamide
CID 79681361
4-(piperidine-1-carbonyl)morpholine-2-carboximidamide
CID 79676441
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
2-(4-fluorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]morpholine-4-carboxamide
CID 55698518
(2S)-2-N-methyl-4-N-[4-(trifluoromethyl)phenyl]morpholine-2,4-dicarboxamide
CID 97348704

Frequently Asked Questions

What is the IUPAC name of 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide (CID 79675785) is 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide is [H]/N=C(\N)C1CN(C(=O)Nc2ccc(F)cc2)CCO1.
What is the InChIKey of 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is NBHITZRUONMTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2/c13-8-1-3-9(4-2-8)16-12(18)17-5-6-19-10(7-17)11(14)15/h1-4,10H,5-7H2,(H3,14,15)(H,16,18).
What are the key properties of 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide?
2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 266.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-N-(4-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 79675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).