3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

C16H14Cl2N2O — CID 74607566

IUPAC3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)NCCc1ccccn1
InChIInChI=1S/C16H14Cl2N2O/c17-14-6-3-4-12(16(14)18)7-8-15(21)20-11-9-13-5-1-2-10-19-13/h1-8,10H,9,11H2,(H,20,21)
InChIKeyPIZWQTYRHLWTBL-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.76
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (PubChem CID 74607566) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
PubChem CID74607566
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)NCCc1ccccn1
InChIInChI=1S/C16H14Cl2N2O/c17-14-6-3-4-12(16(14)18)7-8-15(21)20-11-9-13-5-1-2-10-19-13/h1-8,10H,9,11H2,(H,20,21)
InChIKeyPIZWQTYRHLWTBL-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.76
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-(2,3-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 127030404
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-3-(2,3-dichlorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 127031291
4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-2-methylbutanoic acid
CID 80538396
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39897509
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556
(E)-3-(2-chlorophenyl)-N-(2-pyrimidin-5-ylethyl)prop-2-enamide
CID 110208393
(E)-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39299939
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 26444070
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide (CID 74607566) is 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1Cl)NCCc1ccccn1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
The InChIKey is PIZWQTYRHLWTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c17-14-6-3-4-12(16(14)18)7-8-15(21)20-11-9-13-5-1-2-10-19-13/h1-8,10H,9,11H2,(H,20,21).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide?
3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide has a molecular weight of 321.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide is sourced from PubChem (CID 74607566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).