N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride

C23H24ClFN2O — CID 118483787

IUPACN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1.Cl
InChIInChI=1S/C23H23FN2O.ClH/c1-2-23(25)14-19(23)17-10-11-21(20(24)12-17)26-22(27)13-16-8-5-7-15-6-3-4-9-18(15)16;/h3-12,19H,2,13-14,25H2,1H3,(H,26,27);1H
InChIKeyXUYCYFMEIXRXJF-UHFFFAOYSA-N
MW398.91 g/mol
LogP5.18
Rot. Bonds5

About N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 118483787) has the molecular formula C23H24ClFN2O and a molecular weight of 398.91 g/mol. Its IUPAC name is N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID118483787
Molecular FormulaC23H24ClFN2O
Molecular Weight398.91 g/mol
Exact Mass398.16
IUPAC NameN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1.Cl
InChIInChI=1S/C23H23FN2O.ClH/c1-2-23(25)14-19(23)17-10-11-21(20(24)12-17)26-22(27)13-16-8-5-7-15-6-3-4-9-18(15)16;/h3-12,19H,2,13-14,25H2,1H3,(H,26,27);1H
InChIKeyXUYCYFMEIXRXJF-UHFFFAOYSA-N
XLogP5.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.91
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 118483787) is N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride is CCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1.Cl.
What is the InChIKey of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is XUYCYFMEIXRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O.ClH/c1-2-23(25)14-19(23)17-10-11-21(20(24)12-17)26-22(27)13-16-8-5-7-15-6-3-4-9-18(15)16;/h3-12,19H,2,13-14,25H2,1H3,(H,26,27);1H.
What are the key properties of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 398.91 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 118483787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).