1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea

C22H26F2N4O2 — CID 43835566

IUPAC1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C22H26F2N4O2/c23-17-4-8-19(9-5-17)27-21(29)25-13-15-2-1-3-16(12-15)14-26-22(30)28-20-10-6-18(24)7-11-20/h4-11,15-16H,1-3,12-14H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyHRJQDDLRIBCMJZ-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.71
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea

1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (PubChem CID 43835566) has the molecular formula C22H26F2N4O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
PubChem CID43835566
Molecular FormulaC22H26F2N4O2
Molecular Weight416.47 g/mol
Exact Mass416.20
IUPAC Name1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C22H26F2N4O2/c23-17-4-8-19(9-5-17)27-21(29)25-13-15-2-1-3-16(12-15)14-26-22(30)28-20-10-6-18(24)7-11-20/h4-11,15-16H,1-3,12-14H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyHRJQDDLRIBCMJZ-UHFFFAOYSA-N
XLogP4.71
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea with MolForge

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Related Compounds

1-(4-sulfanylphenyl)-3-[[3-[[(4-sulfanylphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43834026
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
1-(3,5-dibromophenyl)-3-[[3-[[(3,5-dibromophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 10122790
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
CID 43835669
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
1-[4-(dimethylamino)phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472680
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
5-(cyclobutylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61199881
3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (CID 43835566) is 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is O=C(NCC1CCCC(CNC(=O)Nc2ccc(F)cc2)C1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The InChIKey is HRJQDDLRIBCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2/c23-17-4-8-19(9-5-17)27-21(29)25-13-15-2-1-3-16(12-15)14-26-22(30)28-20-10-6-18(24)7-11-20/h4-11,15-16H,1-3,12-14H2,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea has a molecular weight of 416.47 g/mol, XLogP of 4.71, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 43835566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).