(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide

C19H19BrN2O2 — CID 9426898

IUPAC(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-13-19(24)22-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyMWOPTKZOWHYAMB-VAWYXSNFSA-N
MW387.28 g/mol
LogP3.78
Rot. Bonds6

About (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide

(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide (PubChem CID 9426898) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
PubChem CID9426898
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-13-19(24)22-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyMWOPTKZOWHYAMB-VAWYXSNFSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.78
H-Bond Donors ≤ 52
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-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]prop-2-enamide
CID 9440734
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 6215067
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8794472
N-[(2-bromophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 3263463
N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9220038

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide (CID 9426898) is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide is CCc1ccc(/C=C/C(=O)NCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide?
The InChIKey is MWOPTKZOWHYAMB-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-14-7-9-15(10-8-14)11-12-18(23)21-13-19(24)22-17-6-4-3-5-16(17)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+.
What are the key properties of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide?
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide has a molecular weight of 387.28 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide is sourced from PubChem (CID 9426898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).