(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide

C20H21Br2NO2 — CID 53267730

IUPAC(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(Br)c1
InChIInChI=1S/C20H21Br2NO2/c1-3-4-5-14-6-9-18(17(22)12-14)23-20(24)11-7-15-13-16(21)8-10-19(15)25-2/h6-13H,3-5H2,1-2H3,(H,23,24)/b11-7+
InChIKeyUFVOBQHAMKNHSW-YRNVUSSQSA-N
MW467.20 g/mol
LogP6.21
Rot. Bonds7

About (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide

(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide (PubChem CID 53267730) has the molecular formula C20H21Br2NO2 and a molecular weight of 467.20 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
PubChem CID53267730
Molecular FormulaC20H21Br2NO2
Molecular Weight467.20 g/mol
Exact Mass464.99
IUPAC Name(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
SMILESCCCCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(Br)c1
InChIInChI=1S/C20H21Br2NO2/c1-3-4-5-14-6-9-18(17(22)12-14)23-20(24)11-7-15-13-16(21)8-10-19(15)25-2/h6-13H,3-5H2,1-2H3,(H,23,24)/b11-7+
InChIKeyUFVOBQHAMKNHSW-YRNVUSSQSA-N
XLogP6.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.20
LogP ≤ 56.21
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

(E)-3-(5-bromo-2-methoxyphenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 6287988
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
(E)-N-(2-bromo-4-butylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 53267823
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 7935033
(E)-N-(2-bromo-4-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 53267822
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(diethylamino)-2-methylphenyl]prop-2-enamide
CID 22776794
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-tert-butyl-2-methoxyphenyl)prop-2-enamide
CID 7935899
(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 39166862
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide (CID 53267730) is (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide is CCCCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(Br)c1.
What is the InChIKey of (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
The InChIKey is UFVOBQHAMKNHSW-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H21Br2NO2/c1-3-4-5-14-6-9-18(17(22)12-14)23-20(24)11-7-15-13-16(21)8-10-19(15)25-2/h6-13H,3-5H2,1-2H3,(H,23,24)/b11-7+.
What are the key properties of (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide?
(E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide has a molecular weight of 467.20 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromo-4-butylphenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 53267730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).