(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide

C12H14BrNO — CID 18170609

IUPAC(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-9(2)14-12(15)8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3,(H,14,15)/b8-7+
InChIKeyADFAINUBGKOMJP-BQYQJAHWSA-N
MW268.15 g/mol
LogP2.99
Rot. Bonds3

About (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide

(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide (PubChem CID 18170609) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
PubChem CID18170609
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1ccccc1Br
InChIInChI=1S/C12H14BrNO/c1-9(2)14-12(15)8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3,(H,14,15)/b8-7+
InChIKeyADFAINUBGKOMJP-BQYQJAHWSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(2R)-2-[3-(2-bromophenyl)prop-2-enoylamino]butanoic acid
CID 79023956
diethyl 2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]propanedioate
CID 25474462
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
3-(2-bromophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]prop-2-enamide
CID 55360438
(E)-3-(2-bromophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 65037251
(E)-3-(2-bromophenyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 51157054
(Z)-3-(2-bromophenyl)-N-cyanoprop-2-enamide
CID 142584939
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-5-methoxypentanoic acid
CID 81085473
(E)-3-(2-bromophenyl)prop-2-enoic acid
CID 688321

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide (CID 18170609) is (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C=C/c1ccccc1Br.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide?
The InChIKey is ADFAINUBGKOMJP-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-9(2)14-12(15)8-7-10-5-3-4-6-11(10)13/h3-9H,1-2H3,(H,14,15)/b8-7+.
What are the key properties of (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide?
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide has a molecular weight of 268.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 18170609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).