1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

C19H21FN4O2 — CID 24945594

IUPAC1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c1-23-10-12-24(13-11-23)18(25)14-2-6-16(7-3-14)21-19(26)22-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3,(H2,21,22,26)
InChIKeyBSWUDPCRLBXAMJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.86
Rot. Bonds3

About 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea (PubChem CID 24945594) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
PubChem CID24945594
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c1-23-10-12-24(13-11-23)18(25)14-2-6-16(7-3-14)21-19(26)22-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3,(H2,21,22,26)
InChIKeyBSWUDPCRLBXAMJ-UHFFFAOYSA-N
XLogP2.86
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.86
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-methylpiperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea (CID 24945594) is 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea is CN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The InChIKey is BSWUDPCRLBXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-23-10-12-24(13-11-23)18(25)14-2-6-16(7-3-14)21-19(26)22-17-8-4-15(20)5-9-17/h2-9H,10-13H2,1H3,(H2,21,22,26).
What are the key properties of 1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
1-(4-fluorophenyl)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea has a molecular weight of 356.40 g/mol, XLogP of 2.86, 3 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-methylpiperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 24945594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).