(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide

C14H18BrNO — CID 81003703

IUPAC(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H18BrNO/c1-4-6-10(3)14(17)16-13-8-7-12(15)9-11(13)5-2/h6-9H,4-5H2,1-3H3,(H,16,17)/b10-6-
InChIKeyYVQRZBOHYQXNHN-POHAHGRESA-N
MW296.21 g/mol
LogP4.31
Rot. Bonds4

About (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide

(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide (PubChem CID 81003703) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
PubChem CID81003703
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C14H18BrNO/c1-4-6-10(3)14(17)16-13-8-7-12(15)9-11(13)5-2/h6-9H,4-5H2,1-3H3,(H,16,17)/b10-6-
InChIKeyYVQRZBOHYQXNHN-POHAHGRESA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.31
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

2-(azetidin-3-ylidene)-N-(4-bromo-2-ethylphenyl)propanamide
CID 116678554
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
ethyl 2-[4-bromo-2-(fluoromethyl)anilino]-2-oxoacetate
CID 118494452
N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
CID 81003933
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide (CID 81003703) is (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide?
The InChIKey is YVQRZBOHYQXNHN-POHAHGRESA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-6-10(3)14(17)16-13-8-7-12(15)9-11(13)5-2/h6-9H,4-5H2,1-3H3,(H,16,17)/b10-6-.
What are the key properties of (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide?
(Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide has a molecular weight of 296.21 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-bromo-2-ethylphenyl)-2-methylpent-2-enamide is sourced from PubChem (CID 81003703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).