2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide

C20H23FN2O2 — CID 86814049

IUPAC2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(23-19(24)20(2,22)15-9-10-15)14-8-11-18(17(21)12-14)25-16-6-4-3-5-7-16/h3-8,11-13,15H,9-10,22H2,1-2H3,(H,23,24)
InChIKeySSKFGYRUBWWYTQ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.92
Rot. Bonds6

About 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide

2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide (PubChem CID 86814049) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
PubChem CID86814049
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1
InChIInChI=1S/C20H23FN2O2/c1-13(23-19(24)20(2,22)15-9-10-15)14-8-11-18(17(21)12-14)25-16-6-4-3-5-7-16/h3-8,11-13,15H,9-10,22H2,1-2H3,(H,23,24)
InChIKeySSKFGYRUBWWYTQ-UHFFFAOYSA-N
XLogP3.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119729498
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
2-[1-(3-fluoro-4-phenoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975148
N-[(1S)-1-(3-fluoro-4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 100642402
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
CID 60866617
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119729502
1-cyclopropyl-3-[(1S)-1-(3-fluoro-4-pyridin-3-yloxyphenyl)ethyl]-1-methylurea
CID 95961521

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide (CID 86814049) is 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide is CC(NC(=O)C(C)(N)C1CC1)c1ccc(Oc2ccccc2)c(F)c1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide?
The InChIKey is SSKFGYRUBWWYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-13(23-19(24)20(2,22)15-9-10-15)14-8-11-18(17(21)12-14)25-16-6-4-3-5-7-16/h3-8,11-13,15H,9-10,22H2,1-2H3,(H,23,24).
What are the key properties of 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide?
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide has a molecular weight of 342.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 86814049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).