1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea

C10H13FN4O — CID 82685806

IUPAC1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
SMILES[H]/N=C(\N)c1cc(F)ccc1NC(=O)NCC
InChIInChI=1S/C10H13FN4O/c1-2-14-10(16)15-8-4-3-6(11)5-7(8)9(12)13/h3-5H,2H2,1H3,(H3,12,13)(H2,14,15,16)
InChIKeyWUYLCVHKAMDBGX-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.25
Rot. Bonds3

About 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea

1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea (PubChem CID 82685806) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
PubChem CID82685806
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
SMILES[H]/N=C(\N)c1cc(F)ccc1NC(=O)NCC
InChIInChI=1S/C10H13FN4O/c1-2-14-10(16)15-8-4-3-6(11)5-7(8)9(12)13/h3-5H,2H2,1H3,(H3,12,13)(H2,14,15,16)
InChIKeyWUYLCVHKAMDBGX-UHFFFAOYSA-N
XLogP1.25
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

1-butyl-3-(2-carbamimidoyl-4-fluorophenyl)urea
CID 82684483
N-(2-carbamimidoyl-4-fluorophenyl)azepane-1-carboxamide
CID 82684682
1-[2-(aminomethyl)-5-fluorophenyl]-3-ethylurea
CID 82508247
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
CID 63669341
2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
CID 82685131
1-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-3-ethylurea
CID 82703646
1-ethyl-3-[2-[(Z)-N'-hydroxycarbamimidoyl]-4-(trifluoromethyl)phenyl]urea
CID 115911706
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
5-fluoro-2-(methylsulfanylmethyl)benzenecarboximidamide
CID 63291251
2-(butoxymethyl)-5-fluorobenzenecarboximidamide
CID 63291033

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea?
The IUPAC name of 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea (CID 82685806) is 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea.
What is the SMILES notation for 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea?
The canonical SMILES for 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea is [H]/N=C(\N)c1cc(F)ccc1NC(=O)NCC.
What is the InChIKey of 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea?
The InChIKey is WUYLCVHKAMDBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-2-14-10(16)15-8-4-3-6(11)5-7(8)9(12)13/h3-5H,2H2,1H3,(H3,12,13)(H2,14,15,16).
What are the key properties of 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea?
1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea has a molecular weight of 224.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea is sourced from PubChem (CID 82685806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).