N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide

C24H30FN3O2 — CID 23906657

IUPACN-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H30FN3O2/c1-17-2-10-21(11-3-17)23(29)26-14-18-4-6-19(7-5-18)15-27-24(30)28-16-20-8-12-22(25)13-9-20/h2-3,8-13,18-19H,4-7,14-16H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyRUQGDQMHMHHXFY-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.17
Rot. Bonds7

About N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide

N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide (PubChem CID 23906657) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
PubChem CID23906657
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C24H30FN3O2/c1-17-2-10-21(11-3-17)23(29)26-14-18-4-6-19(7-5-18)15-27-24(30)28-16-20-8-12-22(25)13-9-20/h2-3,8-13,18-19H,4-7,14-16H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyRUQGDQMHMHHXFY-UHFFFAOYSA-N
XLogP4.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide (CID 23906657) is N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCC(CNC(=O)NCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide?
The InChIKey is RUQGDQMHMHHXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-2-10-21(11-3-17)23(29)26-14-18-4-6-19(7-5-18)15-27-24(30)28-16-20-8-12-22(25)13-9-20/h2-3,8-13,18-19H,4-7,14-16H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide?
N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]-4-methylbenzamide is sourced from PubChem (CID 23906657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).