[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea

C19H27Cl2FN4O — CID 175603611

IUPAC[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea
SMILESCC(c1cccc(Cl)c1Cl)(N1CCNCC1)C1(F)CCC(NC(N)=O)CC1
InChIInChI=1S/C19H27Cl2FN4O/c1-18(26-11-9-24-10-12-26,14-3-2-4-15(20)16(14)21)19(22)7-5-13(6-8-19)25-17(23)27/h2-4,13,24H,5-12H2,1H3,(H3,23,25,27)
InChIKeyQBPHJYQUNAPMNE-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.43
Rot. Bonds4

About [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea

[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea (PubChem CID 175603611) has the molecular formula C19H27Cl2FN4O and a molecular weight of 417.36 g/mol. Its IUPAC name is [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea.

Molecular Properties

Compound Name[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea
PubChem CID175603611
Molecular FormulaC19H27Cl2FN4O
Molecular Weight417.36 g/mol
Exact Mass416.15
IUPAC Name[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea
SMILESCC(c1cccc(Cl)c1Cl)(N1CCNCC1)C1(F)CCC(NC(N)=O)CC1
InChIInChI=1S/C19H27Cl2FN4O/c1-18(26-11-9-24-10-12-26,14-3-2-4-15(20)16(14)21)19(22)7-5-13(6-8-19)25-17(23)27/h2-4,13,24H,5-12H2,1H3,(H3,23,25,27)
InChIKeyQBPHJYQUNAPMNE-UHFFFAOYSA-N
XLogP3.43
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-1-methylcyclohexyl]furan-2-carboxamide
CID 175603646
1-tert-butyl-3-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]cyclohex-3-en-1-yl]urea
CID 175603520
2-(2,3-dichlorophenyl)-2-piperazin-1-ylpropan-1-ol
CID 114079755
methyl 2-(2-chlorophenyl)-2-piperazin-1-ylpropanoate
CID 54895358
N-[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-2-fluorocyclohexyl]-N-methylpyrimidin-2-amine
CID 175603543
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
CID 54891363
2,2-bis(2,3-dichlorophenyl)propanediamide
CID 69106750
2-(1,4-diazepan-1-yl)-2-(2-fluorophenyl)propanamide
CID 54891219
2-(2,3-dichlorophenyl)-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119386183

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea?
The IUPAC name of [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea (CID 175603611) is [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea.
What is the SMILES notation for [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea?
The canonical SMILES for [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea is CC(c1cccc(Cl)c1Cl)(N1CCNCC1)C1(F)CCC(NC(N)=O)CC1.
What is the InChIKey of [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea?
The InChIKey is QBPHJYQUNAPMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2FN4O/c1-18(26-11-9-24-10-12-26,14-3-2-4-15(20)16(14)21)19(22)7-5-13(6-8-19)25-17(23)27/h2-4,13,24H,5-12H2,1H3,(H3,23,25,27).
What are the key properties of [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea?
[4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea has a molecular weight of 417.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2,3-dichlorophenyl)-1-piperazin-1-ylethyl]-4-fluorocyclohexyl]urea is sourced from PubChem (CID 175603611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).