1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea

C17H19FN4O — CID 69452265

IUPAC1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-17(23)20-13-5-7-14(8-6-13)22-11-9-19-10-12-22/h1-8,19H,9-12H2,(H2,20,21,23)
InChIKeyDKUYHYVKGRXZNX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea

1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea (PubChem CID 69452265) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
PubChem CID69452265
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-17(23)20-13-5-7-14(8-6-13)22-11-9-19-10-12-22/h1-8,19H,9-12H2,(H2,20,21,23)
InChIKeyDKUYHYVKGRXZNX-UHFFFAOYSA-N
XLogP2.88
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(2-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxylic acid
CID 69450119
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69451114
1-(2-fluorophenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790143
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperazine-1-carboxamide;hydrochloride
CID 161429072
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91077574
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
2-(1,4-diazepan-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 43327583

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea (CID 69452265) is 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea is O=C(Nc1ccc(N2CCNCC2)cc1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea?
The InChIKey is DKUYHYVKGRXZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-3-1-2-4-16(15)21-17(23)20-13-5-7-14(8-6-13)22-11-9-19-10-12-22/h1-8,19H,9-12H2,(H2,20,21,23).
What are the key properties of 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea?
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea has a molecular weight of 314.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea is sourced from PubChem (CID 69452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).