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

C22H26F2N4O2 — CID 43835568

IUPAC1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1
InChIInChI=1S/C22H26F2N4O2/c23-17-6-2-8-19(11-17)27-21(29)25-13-15-4-1-5-16(10-15)14-26-22(30)28-20-9-3-7-18(24)12-20/h2-3,6-9,11-12,15-16H,1,4-5,10,13-14H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyOIXJDXYMRROCCN-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.71
Rot. Bonds6

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

1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (PubChem CID 43835568) has the molecular formula C22H26F2N4O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
PubChem CID43835568
Molecular FormulaC22H26F2N4O2
Molecular Weight416.47 g/mol
Exact Mass416.20
IUPAC Name1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCC1CCCC(CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1
InChIInChI=1S/C22H26F2N4O2/c23-17-6-2-8-19(11-17)27-21(29)25-13-15-4-1-5-16(10-15)14-26-22(30)28-20-9-3-7-18(24)12-20/h2-3,6-9,11-12,15-16H,1,4-5,10,13-14H2,(H2,25,27,29)(H2,26,28,30)
InChIKeyOIXJDXYMRROCCN-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-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
CID 95144992
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-(3,5-dibromophenyl)-3-[[3-[[(3,5-dibromophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 10122790

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (CID 43835568) is 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is O=C(NCC1CCCC(CNC(=O)Nc2cccc(F)c2)C1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The InChIKey is OIXJDXYMRROCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N4O2/c23-17-6-2-8-19(11-17)27-21(29)25-13-15-4-1-5-16(10-15)14-26-22(30)28-20-9-3-7-18(24)12-20/h2-3,6-9,11-12,15-16H,1,4-5,10,13-14H2,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
1-(3-fluorophenyl)-3-[[3-[[(3-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-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 43835568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).