N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide

C14H18FN3O — CID 89104781

IUPACN-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide
SMILESC/N=C/c1c(N)ccc(F)c1C1CC1CNC(C)=O
InChIInChI=1S/C14H18FN3O/c1-8(19)18-6-9-5-10(9)14-11(7-17-2)13(16)4-3-12(14)15/h3-4,7,9-10H,5-6,16H2,1-2H3,(H,18,19)/b17-7+
InChIKeyOQNASEDNNCRURN-REZTVBANSA-N
MW263.32 g/mol
LogP1.70
Rot. Bonds4

About N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide

N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide (PubChem CID 89104781) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide
PubChem CID89104781
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide
SMILESC/N=C/c1c(N)ccc(F)c1C1CC1CNC(C)=O
InChIInChI=1S/C14H18FN3O/c1-8(19)18-6-9-5-10(9)14-11(7-17-2)13(16)4-3-12(14)15/h3-4,7,9-10H,5-6,16H2,1-2H3,(H,18,19)/b17-7+
InChIKeyOQNASEDNNCRURN-REZTVBANSA-N
XLogP1.70
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide (CID 89104781) is N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide is C/N=C/c1c(N)ccc(F)c1C1CC1CNC(C)=O.
What is the InChIKey of N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide?
The InChIKey is OQNASEDNNCRURN-REZTVBANSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(19)18-6-9-5-10(9)14-11(7-17-2)13(16)4-3-12(14)15/h3-4,7,9-10H,5-6,16H2,1-2H3,(H,18,19)/b17-7+.
What are the key properties of N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide?
N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-amino-6-fluoro-2-(methyliminomethyl)phenyl]cyclopropyl]methyl]acetamide is sourced from PubChem (CID 89104781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).