(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide

C17H14BrNO2 — CID 34830510

IUPAC(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Br)c1
InChIInChI=1S/C17H14BrNO2/c1-12(20)14-6-4-7-15(11-14)19-17(21)10-9-13-5-2-3-8-16(13)18/h2-11H,1H3,(H,19,21)/b10-9+
InChIKeyBXVPICBGJYDAQN-MDZDMXLPSA-N
MW344.21 g/mol
LogP4.30
Rot. Bonds4

About (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide

(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide (PubChem CID 34830510) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
PubChem CID34830510
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Br)c1
InChIInChI=1S/C17H14BrNO2/c1-12(20)14-6-4-7-15(11-14)19-17(21)10-9-13-5-2-3-8-16(13)18/h2-11H,1H3,(H,19,21)/b10-9+
InChIKeyBXVPICBGJYDAQN-MDZDMXLPSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.30
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

methyl 3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]benzoate
CID 26886813
(E)-3-(2-bromophenyl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 9072299
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
N-[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]-2-cyanoacetamide
CID 108922817
(E)-N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 34332374
methyl 4-[3-(2-bromophenyl)prop-2-enoylamino]benzoate
CID 78777184
(E)-N-(3-bromophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8713833
(E)-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 24660268
[3-[[3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929266
(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-N-(3-acetylphenyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide
CID 33219428
(E)-N-(3-acetylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2679050

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide (CID 34830510) is (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide is CC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Br)c1.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide?
The InChIKey is BXVPICBGJYDAQN-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-12(20)14-6-4-7-15(11-14)19-17(21)10-9-13-5-2-3-8-16(13)18/h2-11H,1H3,(H,19,21)/b10-9+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide has a molecular weight of 344.21 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-(2-bromophenyl)prop-2-enamide is sourced from PubChem (CID 34830510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).