1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea

C26H26F2N4O3 — CID 42768647

IUPAC1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)CC2)cc1
InChIInChI=1S/C26H26F2N4O3/c1-35-22-9-2-18(3-10-22)16-25(33)32-14-12-31(13-15-32)21-7-5-20(6-8-21)29-26(34)30-24-11-4-19(27)17-23(24)28/h2-11,17H,12-16H2,1H3,(H2,29,30,34)
InChIKeyLEIBJBJARAZRJC-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.51
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea

1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea (PubChem CID 42768647) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
PubChem CID42768647
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)CC2)cc1
InChIInChI=1S/C26H26F2N4O3/c1-35-22-9-2-18(3-10-22)16-25(33)32-14-12-31(13-15-32)21-7-5-20(6-8-21)29-26(34)30-24-11-4-19(27)17-23(24)28/h2-11,17H,12-16H2,1H3,(H2,29,30,34)
InChIKeyLEIBJBJARAZRJC-UHFFFAOYSA-N
XLogP4.51
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]pentanamide
CID 4558492
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
2-chloro-N-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-2-phenylacetamide
CID 42768636
ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
2-(4-fluorophenyl)-1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 121031968
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea (CID 42768647) is 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea is COc1ccc(CC(=O)N2CCN(c3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)CC2)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The InChIKey is LEIBJBJARAZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-35-22-9-2-18(3-10-22)16-25(33)32-14-12-31(13-15-32)21-7-5-20(6-8-21)29-26(34)30-24-11-4-19(27)17-23(24)28/h2-11,17H,12-16H2,1H3,(H2,29,30,34).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea?
1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea has a molecular weight of 480.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]urea is sourced from PubChem (CID 42768647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).