(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide

C19H19BrN2O2 — CID 40730718

IUPAC(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-2-14-7-4-6-10-17(14)22-19(24)13-21-18(23)12-11-15-8-3-5-9-16(15)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyUOHDIHFSLHCBHU-VAWYXSNFSA-N
MW387.28 g/mol
LogP3.78
Rot. Bonds6

About (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide

(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 40730718) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID40730718
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
SMILESCCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C19H19BrN2O2/c1-2-14-7-4-6-10-17(14)22-19(24)13-21-18(23)12-11-15-8-3-5-9-16(15)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+
InChIKeyUOHDIHFSLHCBHU-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

3-(2-bromophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]prop-2-enamide
CID 74623628
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(4-ethylphenyl)prop-2-enamide
CID 9426898
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
N-[2-(2-bromoanilino)-2-oxoethyl]hexa-2,4-dienamide
CID 47101356
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 6215067
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]prop-2-enamide
CID 9440734
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60565625
(E)-3-(2-bromophenyl)-N-(2-ethylsulfonylethyl)prop-2-enamide
CID 51108653

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide (CID 40730718) is (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide is CCc1ccccc1NC(=O)CNC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is UOHDIHFSLHCBHU-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-2-14-7-4-6-10-17(14)22-19(24)13-21-18(23)12-11-15-8-3-5-9-16(15)20/h3-12H,2,13H2,1H3,(H,21,23)(H,22,24)/b12-11+.
What are the key properties of (E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide?
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]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)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 40730718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).