N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide

C22H25FN2O2 — CID 55893896

IUPACN-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(CC1CCCCC1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O2/c23-19-11-9-18(10-12-19)22(27)25-20-8-4-7-17(13-20)15-24-21(26)14-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6,14-15H2,(H,24,26)(H,25,27)
InChIKeyVOXUSJNOPMRFQY-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.66
Rot. Bonds6

About N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide

N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide (PubChem CID 55893896) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
PubChem CID55893896
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(CC1CCCCC1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H25FN2O2/c23-19-11-9-18(10-12-19)22(27)25-20-8-4-7-17(13-20)15-24-21(26)14-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6,14-15H2,(H,24,26)(H,25,27)
InChIKeyVOXUSJNOPMRFQY-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
2-cyano-N-[[3-[(2-cyclohexylacetyl)amino]phenyl]methyl]acetamide
CID 108924164
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
CID 55894282
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287
4-fluoro-N-[3-[[3-(2-hydroxyphenyl)propanoylamino]methyl]phenyl]benzamide
CID 51121607
N-[3-[(2-cyclopentylacetyl)amino]phenyl]benzamide
CID 54786112
2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
4-fluoro-N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]phenyl]benzamide
CID 55893772
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide (CID 55893896) is N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide is O=C(CC1CCCCC1)NCc1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide?
The InChIKey is VOXUSJNOPMRFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-19-11-9-18(10-12-19)22(27)25-20-8-4-7-17(13-20)15-24-21(26)14-16-5-2-1-3-6-16/h4,7-13,16H,1-3,5-6,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide?
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide has a molecular weight of 368.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 55893896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).