(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide

C13H15BrFNO — CID 103278123

IUPAC(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H15BrFNO/c1-4-5-8(2)13(17)16-12-7-10(14)11(15)6-9(12)3/h5-7H,4H2,1-3H3,(H,16,17)/b8-5-
InChIKeyBMYLVZOPQGFHAU-YVMONPNESA-N
MW300.17 g/mol
LogP4.19
Rot. Bonds3

About (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide

(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide (PubChem CID 103278123) has the molecular formula C13H15BrFNO and a molecular weight of 300.17 g/mol. Its IUPAC name is (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide
PubChem CID103278123
Molecular FormulaC13H15BrFNO
Molecular Weight300.17 g/mol
Exact Mass299.03
IUPAC Name(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H15BrFNO/c1-4-5-8(2)13(17)16-12-7-10(14)11(15)6-9(12)3/h5-7H,4H2,1-3H3,(H,16,17)/b8-5-
InChIKeyBMYLVZOPQGFHAU-YVMONPNESA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
CID 103269164
N-(5-bromo-4-fluoro-2-methylphenyl)-5-chloropentanamide
CID 107591745
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide (CID 103278123) is (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide?
The InChIKey is BMYLVZOPQGFHAU-YVMONPNESA-N. The full InChI is InChI=1S/C13H15BrFNO/c1-4-5-8(2)13(17)16-12-7-10(14)11(15)6-9(12)3/h5-7H,4H2,1-3H3,(H,16,17)/b8-5-.
What are the key properties of (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide?
(Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide has a molecular weight of 300.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-bromo-4-fluoro-2-methylphenyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103278123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).