(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide

C12H15FN2O — CID 143395730

IUPAC(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide
SMILESC/C(N)=C(\Cc1ccc(C)c(F)c1)C(N)=O
InChIInChI=1S/C12H15FN2O/c1-7-3-4-9(6-11(7)13)5-10(8(2)14)12(15)16/h3-4,6H,5,14H2,1-2H3,(H2,15,16)/b10-8-
InChIKeyVYFMLCZZMLFYGC-NTMALXAHSA-N
MW222.26 g/mol
LogP1.39
Rot. Bonds3

About (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide

(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide (PubChem CID 143395730) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide
PubChem CID143395730
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide
SMILESC/C(N)=C(\Cc1ccc(C)c(F)c1)C(N)=O
InChIInChI=1S/C12H15FN2O/c1-7-3-4-9(6-11(7)13)5-10(8(2)14)12(15)16/h3-4,6H,5,14H2,1-2H3,(H2,15,16)/b10-8-
InChIKeyVYFMLCZZMLFYGC-NTMALXAHSA-N
XLogP1.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-[(4-ethoxy-3-fluorophenyl)methyl]but-2-enamide
CID 143395734
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
methyl 2-[(3-fluoro-4-methylphenyl)methylamino]propanoate
CID 63646729
2-bromo-1-(3-fluoro-4-methylphenyl)-4-methylpentan-3-one
CID 62394983
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
2-fluoro-1-methyl-4-[(Z)-2-propan-2-ylidenehex-3-enyl]benzene
CID 138528525
ethyl 3-(3-fluoro-4-methylphenyl)-2-methylpropanoate
CID 70640795
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
1-chloro-4-(3-fluoro-4-methylphenyl)butan-2-one
CID 134085975
methyl 2-chloro-3-(3-fluoro-4-methylphenyl)propanoate
CID 83194568

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide?
The IUPAC name of (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide (CID 143395730) is (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide?
The canonical SMILES for (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide is C/C(N)=C(\Cc1ccc(C)c(F)c1)C(N)=O.
What is the InChIKey of (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide?
The InChIKey is VYFMLCZZMLFYGC-NTMALXAHSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-7-3-4-9(6-11(7)13)5-10(8(2)14)12(15)16/h3-4,6H,5,14H2,1-2H3,(H2,15,16)/b10-8-.
What are the key properties of (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide?
(Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide has a molecular weight of 222.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-[(3-fluoro-4-methylphenyl)methyl]but-2-enamide is sourced from PubChem (CID 143395730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).