1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea

C19H20ClFN4O2 — CID 110371137

IUPAC1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O2/c20-14-1-5-16(6-2-14)23-19(27)22-13-18(26)25-11-9-24(10-12-25)17-7-3-15(21)4-8-17/h1-8H,9-13H2,(H2,22,23,27)
InChIKeyYBBGQYWIXBYVOI-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea

1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 110371137) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID110371137
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O2/c20-14-1-5-16(6-2-14)23-19(27)22-13-18(26)25-11-9-24(10-12-25)17-7-3-15(21)4-8-17/h1-8H,9-13H2,(H2,22,23,27)
InChIKeyYBBGQYWIXBYVOI-UHFFFAOYSA-N
XLogP2.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 61177229
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
CID 67164199
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
1-(4-chlorophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea
CID 1056376
2-(3,4-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002268
2-(2,5-dichloroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 109002270
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-phenylurea
CID 42156451
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
N-[2-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 51131186

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea (CID 110371137) is 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea is O=C(NCC(=O)N1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is YBBGQYWIXBYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c20-14-1-5-16(6-2-14)23-19(27)22-13-18(26)25-11-9-24(10-12-25)17-7-3-15(21)4-8-17/h1-8H,9-13H2,(H2,22,23,27).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 390.85 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 110371137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).