(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H20BrNO2 — CID 53268229

IUPAC(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C19H20BrNO2/c1-3-14-7-11-18(17(20)13-14)21-19(22)12-8-15-5-9-16(10-6-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-8+
InChIKeyOGBFHZDRDPCYEO-XYOKQWHBSA-N
MW374.28 g/mol
LogP5.06
Rot. Bonds6

About (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 53268229) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID53268229
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2Br)cc1
InChIInChI=1S/C19H20BrNO2/c1-3-14-7-11-18(17(20)13-14)21-19(22)12-8-15-5-9-16(10-6-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-8+
InChIKeyOGBFHZDRDPCYEO-XYOKQWHBSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.06
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

N-(2-bromo-4-methylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 1186028
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 53268248
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
methyl 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-4-methylbenzoate
CID 8920139
(E)-3-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2-bromo-4-ethylphenyl)prop-2-enamide
CID 53267982
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 100829899
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 53268229) is (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccc(CC)cc2Br)cc1.
What is the InChIKey of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is OGBFHZDRDPCYEO-XYOKQWHBSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-3-14-7-11-18(17(20)13-14)21-19(22)12-8-15-5-9-16(10-6-15)23-4-2/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-8+.
What are the key properties of (E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(2-bromo-4-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 374.28 g/mol, XLogP of 5.06, 6 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-ethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 53268229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).