N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide

C14H17FN2O2 — CID 75508914

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(2)7-10(14)13(19)17-11(12(16)18)8-3-5-9(15)6-4-8/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyALNBPRRSZGSBPA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.51
Rot. Bonds4

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 75508914) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID75508914
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC(C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(2)7-10(14)13(19)17-11(12(16)18)8-3-5-9(15)6-4-8/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyALNBPRRSZGSBPA-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 75508914) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC(C(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ALNBPRRSZGSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(2)7-10(14)13(19)17-11(12(16)18)8-3-5-9(15)6-4-8/h3-6,10-11H,7H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 75508914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).