3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide

C13H9Cl2N3O — CID 897133

IUPAC3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C13H9Cl2N3O/c14-10-4-2-9(11(15)8-10)3-5-12(19)18-13-16-6-1-7-17-13/h1-8H,(H,16,17,18,19)
InChIKeyZFABCZIOQKGCFX-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.44
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide

3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide (PubChem CID 897133) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
PubChem CID897133
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1Cl)Nc1ncccn1
InChIInChI=1S/C13H9Cl2N3O/c14-10-4-2-9(11(15)8-10)3-5-12(19)18-13-16-6-1-7-17-13/h1-8H,(H,16,17,18,19)
InChIKeyZFABCZIOQKGCFX-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.44
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

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide (CID 897133) is 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide is O=C(C=Cc1ccc(Cl)cc1Cl)Nc1ncccn1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide?
The InChIKey is ZFABCZIOQKGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c14-10-4-2-9(11(15)8-10)3-5-12(19)18-13-16-6-1-7-17-13/h1-8H,(H,16,17,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide?
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide has a molecular weight of 294.14 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 897133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).