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

C16H14BrNO2 — CID 734257

IUPAC(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccccc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17/h2-11H,1H3,(H,18,19)/b11-10+
InChIKeyXZQVTDUNKSBXNI-ZHACJKMWSA-N
MW332.20 g/mol
LogP4.11
Rot. Bonds4

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

(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 734257) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID734257
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccccc1Br
InChIInChI=1S/C16H14BrNO2/c1-20-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17/h2-11H,1H3,(H,18,19)/b11-10+
InChIKeyXZQVTDUNKSBXNI-ZHACJKMWSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.11
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

N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
N-(2-bromophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3270628
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
(E)-N-[(2-bromo-4-methylphenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 54784468
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
(E)-N-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 17341208
methyl 3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 27805275
(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 127123442

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 734257) is (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccccc1Br.
What is the InChIKey of (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is XZQVTDUNKSBXNI-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-20-15-9-5-2-6-12(15)10-11-16(19)18-14-8-4-3-7-13(14)17/h2-11H,1H3,(H,18,19)/b11-10+.
What are the key properties of (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 734257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).