2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide

C16H12Cl2N2O2 — CID 2190777

IUPAC2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-10-5-6-11(13(18)9-10)15(21)7-8-20-14-4-2-1-3-12(14)16(19)22/h1-9,20H,(H2,19,22)/b8-7+
InChIKeyYOVABDCRZCCORI-BQYQJAHWSA-N
MW335.19 g/mol
LogP3.90
Rot. Bonds5

About 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide

2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide (PubChem CID 2190777) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
PubChem CID2190777
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide
SMILESNC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-10-5-6-11(13(18)9-10)15(21)7-8-20-14-4-2-1-3-12(14)16(19)22/h1-9,20H,(H2,19,22)/b8-7+
InChIKeyYOVABDCRZCCORI-BQYQJAHWSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide (CID 2190777) is 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide is NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
The InChIKey is YOVABDCRZCCORI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-10-5-6-11(13(18)9-10)15(21)7-8-20-14-4-2-1-3-12(14)16(19)22/h1-9,20H,(H2,19,22)/b8-7+.
What are the key properties of 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide?
2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide has a molecular weight of 335.19 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzamide is sourced from PubChem (CID 2190777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).