(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide

C17H15BrN2O2 — CID 35437293

IUPAC(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)19-15-8-5-13(6-9-15)7-10-17(22)20-16-4-2-3-14(18)11-16/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyNNIBZTUYGWJMBI-JXMROGBWSA-N
MW359.22 g/mol
LogP4.06
Rot. Bonds4

About (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide

(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide (PubChem CID 35437293) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
PubChem CID35437293
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC Name(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H15BrN2O2/c1-12(21)19-15-8-5-13(6-9-15)7-10-17(22)20-16-4-2-3-14(18)11-16/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+
InChIKeyNNIBZTUYGWJMBI-JXMROGBWSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.06
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

N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
methyl 3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]benzoate
CID 34059862
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
3-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 32852031
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 5049931
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
4-[[(E)-3-(3-bromophenyl)prop-2-enoyl]amino]-N-methylbenzamide
CID 24635591
(E)-3-(3-bromophenyl)-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 16551375
(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30267608

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide (CID 35437293) is (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide?
The InChIKey is NNIBZTUYGWJMBI-JXMROGBWSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-12(21)19-15-8-5-13(6-9-15)7-10-17(22)20-16-4-2-3-14(18)11-16/h2-11H,1H3,(H,19,21)(H,20,22)/b10-7+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide has a molecular weight of 359.22 g/mol, XLogP of 4.06, 4 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-(3-bromophenyl)prop-2-enamide is sourced from PubChem (CID 35437293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).