1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea

C12H15FN2O — CID 115629205

IUPAC1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
SMILESC/C=C/CCNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-2-3-6-9-14-12(16)15-11-8-5-4-7-10(11)13/h2-5,7-8H,6,9H2,1H3,(H2,14,15,16)/b3-2+
InChIKeySEJXCNRWGUHOKS-NSCUHMNNSA-N
MW222.26 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea

1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea (PubChem CID 115629205) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
PubChem CID115629205
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea
SMILESC/C=C/CCNC(=O)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O/c1-2-3-6-9-14-12(16)15-11-8-5-4-7-10(11)13/h2-5,7-8H,6,9H2,1H3,(H2,14,15,16)/b3-2+
InChIKeySEJXCNRWGUHOKS-NSCUHMNNSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[ethyl(methyl)amino]ethyl]-3-(2-fluorophenyl)urea
CID 47081878
1-[2-(cyclopropylamino)ethyl]-3-(2-fluorophenyl)urea
CID 62663672
1-(2-fluorophenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 24588095
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731
1-(4-amino-2,2-dimethylbutyl)-3-(2-fluorophenyl)urea
CID 106141258

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea (CID 115629205) is 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea is C/C=C/CCNC(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea?
The InChIKey is SEJXCNRWGUHOKS-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-3-6-9-14-12(16)15-11-8-5-4-7-10(11)13/h2-5,7-8H,6,9H2,1H3,(H2,14,15,16)/b3-2+.
What are the key properties of 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea?
1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea has a molecular weight of 222.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(E)-pent-3-enyl]urea is sourced from PubChem (CID 115629205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).