2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide

C11H12Br2N2O — CID 174935031

IUPAC2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide
SMILESCN(C)C=C(C(N)=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-15(2)6-9(11(14)16)8-4-3-7(12)5-10(8)13/h3-6H,1-2H3,(H2,14,16)
InChIKeyMFEFZNHKGDBIGJ-UHFFFAOYSA-N
MW348.04 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide

2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide (PubChem CID 174935031) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide
PubChem CID174935031
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide
SMILESCN(C)C=C(C(N)=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-15(2)6-9(11(14)16)8-4-3-7(12)5-10(8)13/h3-6H,1-2H3,(H2,14,16)
InChIKeyMFEFZNHKGDBIGJ-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-bromo-2-chlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 67387329
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
1-(2,4-dibromophenyl)-4-methylsulfonylbutan-1-one
CID 107944317
2,4-dibromobenzoic acid
CID 11896
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
1-(2,4-dibromophenyl)-2,2-dimethylpropan-1-one
CID 107944461
2,4-dibromo-N-methylbenzamide
CID 54214948
1-(2,4-dibromophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 107944282
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dibromo-N-methylbenzamide
CID 114018352

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide?
The IUPAC name of 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide (CID 174935031) is 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide.
What is the SMILES notation for 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide?
The canonical SMILES for 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide is CN(C)C=C(C(N)=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide?
The InChIKey is MFEFZNHKGDBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-15(2)6-9(11(14)16)8-4-3-7(12)5-10(8)13/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide?
2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide has a molecular weight of 348.04 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenyl)-3-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 174935031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).