1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea

C21H25FN4O3 — CID 24945595

IUPAC1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea
SMILESCOCCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN4O3/c1-29-15-14-25-10-12-26(13-11-25)20(27)16-2-6-18(7-3-16)23-21(28)24-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H2,23,24,28)
InChIKeyQMGYXYZYBNCJES-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea

1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea (PubChem CID 24945595) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea
PubChem CID24945595
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea
SMILESCOCCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H25FN4O3/c1-29-15-14-25-10-12-26(13-11-25)20(27)16-2-6-18(7-3-16)23-21(28)24-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H2,23,24,28)
InChIKeyQMGYXYZYBNCJES-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53393916
1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
N-[(4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 766939
N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(morpholin-4-yl)benzamide
CID 11501571
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethyl)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566536
9-(2-acetamidobenzoyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212859
4-(4-acetylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 2211455
2-(Dimethoxymethyl)-3-(4-fluorophenyl)-1,2,3-trihydroquinazolin-4-one
CID 5018482
4-(4-acetylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 16012840
N-[2-[4-(4-Methylphenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788870
N-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 49788940

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea (CID 24945595) is 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea is COCCN1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea?
The InChIKey is QMGYXYZYBNCJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-29-15-14-25-10-12-26(13-11-25)20(27)16-2-6-18(7-3-16)23-21(28)24-19-8-4-17(22)5-9-19/h2-9H,10-15H2,1H3,(H2,23,24,28).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea has a molecular weight of 400.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 24945595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).