N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

C17H24FN3O2 — CID 18086112

IUPACN-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)21-17(23)20-13-7-3-2-4-8-13/h5-6,9-10,12-13,19H,2-4,7-8,11H2,1H3,(H2,20,21,22,23)
InChIKeyJMCNZYAPLLLETP-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.63
Rot. Bonds5

About N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18086112) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18086112
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(=O)NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)21-17(23)20-13-7-3-2-4-8-13/h5-6,9-10,12-13,19H,2-4,7-8,11H2,1H3,(H2,20,21,22,23)
InChIKeyJMCNZYAPLLLETP-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
2-[1-(2-chlorophenyl)ethylamino]-N-cyclohexylacetamide
CID 51171753
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
N-(cyclopentylcarbamoyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132078
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088433
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-cyclopropylacetamide
CID 81378498
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18086112) is N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is CC(NCC(=O)NC(=O)NC1CCCCC1)c1ccccc1F.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is JMCNZYAPLLLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(14-9-5-6-10-15(14)18)19-11-16(22)21-17(23)20-13-7-3-2-4-8-13/h5-6,9-10,12-13,19H,2-4,7-8,11H2,1H3,(H2,20,21,22,23).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18086112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).