(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide

C11H13FN2O2 — CID 143084517

IUPAC(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(F)cc1/C(N)=C/C(N)=O
InChIInChI=1S/C11H13FN2O2/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-5H,13H2,1-2H3,(H2,14,15)/b9-5-
InChIKeyOYPPWNXEPNCERX-UITAMQMPSA-N
MW224.24 g/mol
LogP0.93
Rot. Bonds3

About (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide

(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide (PubChem CID 143084517) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide
PubChem CID143084517
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(F)cc1/C(N)=C/C(N)=O
InChIInChI=1S/C11H13FN2O2/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-5H,13H2,1-2H3,(H2,14,15)/b9-5-
InChIKeyOYPPWNXEPNCERX-UITAMQMPSA-N
XLogP0.93
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
CID 164883070
2-(4-fluoro-2-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117302524
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
2,5-dimethoxy-4-methylbenzamide
CID 82491295
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
(E)-3-(4-fluorophenyl)-3-(3-methoxy-4-methylphenyl)prop-2-enamide
CID 58478982
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
2-methoxy-4,5-dimethylbenzoyl bromide
CID 116924546

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide (CID 143084517) is (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide is COc1cc(C)c(F)cc1/C(N)=C/C(N)=O.
What is the InChIKey of (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide?
The InChIKey is OYPPWNXEPNCERX-UITAMQMPSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-6-3-10(16-2)7(4-8(6)12)9(13)5-11(14)15/h3-5H,13H2,1-2H3,(H2,14,15)/b9-5-.
What are the key properties of (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide?
(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide has a molecular weight of 224.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 143084517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).