(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide

C19H19BrN2O2 — CID 51333812

IUPAC(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13(17-5-3-4-6-18(17)20)21-19(24)12-9-15-7-10-16(11-8-15)22-14(2)23/h3-13H,1-2H3,(H,21,24)(H,22,23)/b12-9+
InChIKeyQWDKPDBBYQCZCP-FMIVXFBMSA-N
MW387.28 g/mol
LogP4.30
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide (PubChem CID 51333812) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
PubChem CID51333812
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-13(17-5-3-4-6-18(17)20)21-19(24)12-9-15-7-10-16(11-8-15)22-14(2)23/h3-13H,1-2H3,(H,21,24)(H,22,23)/b12-9+
InChIKeyQWDKPDBBYQCZCP-FMIVXFBMSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.30
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)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
(E)-4-[1-(2-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 43402242
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9220038
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9220124
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078
(E)-3-(4-acetamidophenyl)-N-methylprop-2-enamide
CID 47142125
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
(Z)-N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-phenylprop-2-enamide
CID 92846953
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-3-(2-chlorophenyl)propanoate
CID 55510814

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide (CID 51333812) is (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide?
The InChIKey is QWDKPDBBYQCZCP-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13(17-5-3-4-6-18(17)20)21-19(24)12-9-15-7-10-16(11-8-15)22-14(2)23/h3-13H,1-2H3,(H,21,24)(H,22,23)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide has a molecular weight of 387.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 51333812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).