(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

C17H15Br2NO3 — CID 39166862

IUPAC(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H15Br2NO3/c1-22-13-5-7-16(23-2)11(9-13)3-8-17(21)20-15-10-12(18)4-6-14(15)19/h3-10H,1-2H3,(H,20,21)/b8-3+
InChIKeyQEEHDCSYDAIFQD-FPYGCLRLSA-N
MW441.12 g/mol
LogP4.88
Rot. Bonds5

About (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide

(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (PubChem CID 39166862) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
PubChem CID39166862
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC Name(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H15Br2NO3/c1-22-13-5-7-16(23-2)11(9-13)3-8-17(21)20-15-10-12(18)4-6-14(15)19/h3-10H,1-2H3,(H,20,21)/b8-3+
InChIKeyQEEHDCSYDAIFQD-FPYGCLRLSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.12
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-N-(2,4-dibromophenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 16562719
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
(E)-3-(5-bromo-2-methoxyphenyl)-N-(5-tert-butyl-2-methoxyphenyl)prop-2-enamide
CID 7935899
3-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]-4-hydroxybenzoic acid
CID 108753993
(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide (CID 39166862) is (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2cc(Br)ccc2Br)c1.
What is the InChIKey of (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
The InChIKey is QEEHDCSYDAIFQD-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H15Br2NO3/c1-22-13-5-7-16(23-2)11(9-13)3-8-17(21)20-15-10-12(18)4-6-14(15)19/h3-10H,1-2H3,(H,20,21)/b8-3+.
What are the key properties of (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide?
(E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide has a molecular weight of 441.12 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dibromophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 39166862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).