(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide

C11H11BrFNO — CID 119087183

IUPAC(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFNO/c1-14(2)11(15)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3/b6-4+
InChIKeyAWPLQAMHTKEUOW-GQCTYLIASA-N
MW272.12 g/mol
LogP2.69
Rot. Bonds2

About (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide

(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide (PubChem CID 119087183) has the molecular formula C11H11BrFNO and a molecular weight of 272.12 g/mol. Its IUPAC name is (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide
PubChem CID119087183
Molecular FormulaC11H11BrFNO
Molecular Weight272.12 g/mol
Exact Mass271.00
IUPAC Name(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFNO/c1-14(2)11(15)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3/b6-4+
InChIKeyAWPLQAMHTKEUOW-GQCTYLIASA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate
CID 129491127
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
2-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]oxyethyl 2-methylprop-2-enoate
CID 70289071
(E)-3-(3-bromo-4-fluorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 7514892
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79330405
(E)-3-(3-amino-4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 39244350
3-[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135677194
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
3-(4-bromo-3-fluorophenyl)prop-2-enamide
CID 169482722
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide
CID 56992949

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide (CID 119087183) is (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/c1ccc(F)c(Br)c1.
What is the InChIKey of (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is AWPLQAMHTKEUOW-GQCTYLIASA-N. The full InChI is InChI=1S/C11H11BrFNO/c1-14(2)11(15)6-4-8-3-5-10(13)9(12)7-8/h3-7H,1-2H3/b6-4+.
What are the key properties of (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide?
(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 272.12 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 119087183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).