(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C15H13BrN2O — CID 9414496

IUPAC(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C15H13BrN2O/c16-14-7-2-1-5-12(14)8-9-15(19)18-11-13-6-3-4-10-17-13/h1-10H,11H2,(H,18,19)/b9-8+
InChIKeyBHJFTFJJNXZCAY-CMDGGOBGSA-N
MW317.19 g/mol
LogP3.17
Rot. Bonds4

About (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 9414496) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID9414496
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C15H13BrN2O/c16-14-7-2-1-5-12(14)8-9-15(19)18-11-13-6-3-4-10-17-13/h1-10H,11H2,(H,18,19)/b9-8+
InChIKeyBHJFTFJJNXZCAY-CMDGGOBGSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.17
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

(E)-3-(2-cyanophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714034
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
N-(pyridin-2-ylmethyl)hexa-2,4-dienamide
CID 76860381
3-(2-bromophenyl)-N-(1H-imidazol-5-ylmethyl)prop-2-enamide
CID 77075664
(E)-3-(3-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 39366180
N-[2-[3-(2-bromophenyl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 78779594
(E)-3-(2-bromophenyl)-N-[(2-ethoxyphenyl)methyl]prop-2-enamide
CID 60565625
(E)-3-(2-bromophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 86822395
(E)-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 8895534

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 9414496) is (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Br)NCc1ccccn1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is BHJFTFJJNXZCAY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-14-7-2-1-5-12(14)8-9-15(19)18-11-13-6-3-4-10-17-13/h1-10H,11H2,(H,18,19)/b9-8+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 317.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 9414496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).