2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C17H14Cl2N2O2 — CID 6244670

IUPAC2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-20-17(23)15(9-11-5-3-2-4-6-11)21-16(22)13-8-7-12(18)10-14(13)19/h2-10H,1H3,(H,20,23)(H,21,22)/b15-9+
InChIKeyIUELGRZZCKUHRJ-OQLLNIDSSA-N
MW349.22 g/mol
LogP3.51
Rot. Bonds4

About 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 6244670) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID6244670
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-20-17(23)15(9-11-5-3-2-4-6-11)21-16(22)13-8-7-12(18)10-14(13)19/h2-10H,1H3,(H,20,23)(H,21,22)/b15-9+
InChIKeyIUELGRZZCKUHRJ-OQLLNIDSSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 6244670) is 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is IUELGRZZCKUHRJ-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-20-17(23)15(9-11-5-3-2-4-6-11)21-16(22)13-8-7-12(18)10-14(13)19/h2-10H,1H3,(H,20,23)(H,21,22)/b15-9+.
What are the key properties of 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 349.22 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(E)-3-(methylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6244670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).