1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea

C21H25FN4O2 — CID 59660622

IUPAC1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
SMILESCC(C)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c1-15(2)25-11-13-26(14-12-25)20(27)16-3-7-18(8-4-16)23-21(28)24-19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28)
InChIKeyGNIUGFJWJRRBHA-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.64
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea

1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea (PubChem CID 59660622) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
PubChem CID59660622
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
SMILESCC(C)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN4O2/c1-15(2)25-11-13-26(14-12-25)20(27)16-3-7-18(8-4-16)23-21(28)24-19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28)
InChIKeyGNIUGFJWJRRBHA-UHFFFAOYSA-N
XLogP3.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea (CID 59660622) is 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea is CC(C)N1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea?
The InChIKey is GNIUGFJWJRRBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-15(2)25-11-13-26(14-12-25)20(27)16-3-7-18(8-4-16)23-21(28)24-19-9-5-17(22)6-10-19/h3-10,15H,11-14H2,1-2H3,(H2,23,24,28).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea?
1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea has a molecular weight of 384.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 59660622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).