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

C24H30F2N4O2 — CID 43835587

IUPAC1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CCCC(CNC(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C24H30F2N4O2/c25-21-8-4-17(5-9-21)13-27-23(31)29-15-19-2-1-3-20(12-19)16-30-24(32)28-14-18-6-10-22(26)11-7-18/h4-11,19-20H,1-3,12-16H2,(H2,27,29,31)(H2,28,30,32)
InChIKeyDEXVBUCBEIODCE-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.07
Rot. Bonds8

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

1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea (PubChem CID 43835587) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
PubChem CID43835587
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC1CCCC(CNC(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C24H30F2N4O2/c25-21-8-4-17(5-9-21)13-27-23(31)29-15-19-2-1-3-20(12-19)16-30-24(32)28-14-18-6-10-22(26)11-7-18/h4-11,19-20H,1-3,12-16H2,(H2,27,29,31)(H2,28,30,32)
InChIKeyDEXVBUCBEIODCE-UHFFFAOYSA-N
XLogP4.07
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-(cyclobutylmethyl)-3-[[2-(4-fluorophenyl)acetyl]amino]urea
CID 47186663
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
CID 23906657
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504897
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504156
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 86813740
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea (CID 43835587) is 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea is O=C(NCc1ccc(F)cc1)NCC1CCCC(CNC(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea?
The InChIKey is DEXVBUCBEIODCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O2/c25-21-8-4-17(5-9-21)13-27-23(31)29-15-19-2-1-3-20(12-19)16-30-24(32)28-14-18-6-10-22(26)11-7-18/h4-11,19-20H,1-3,12-16H2,(H2,27,29,31)(H2,28,30,32).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea has a molecular weight of 444.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 43835587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).