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

C23H23FN2O — CID 90205067

IUPACN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide
SMILESCCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C23H23FN2O/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)
InChIKeySEHJQXZOUMGQHQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.75
Rot. Bonds5

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

N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide (PubChem CID 90205067) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide
PubChem CID90205067
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide
SMILESCCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1
InChIInChI=1S/C23H23FN2O/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)
InChIKeySEHJQXZOUMGQHQ-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483787
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
CID 90204678
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
N-[2-methyl-4-[3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]phenyl]phenyl]-2-naphthalen-1-ylacetamide
CID 5046552
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574089
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide (CID 90205067) is N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide is CCC1(N)CC1c1ccc(NC(=O)Cc2cccc3ccccc23)c(F)c1.
What is the InChIKey of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is SEHJQXZOUMGQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/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).
What are the key properties of N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide?
N-[4-(2-amino-2-ethylcyclopropyl)-2-fluorophenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 362.45 g/mol, XLogP of 4.75, 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 is sourced from PubChem (CID 90205067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).