2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide

C16H12Cl2N2O2 — CID 732562

IUPAC2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12-5-3-6-13(18)10(12)8-9-15(21)20-14-7-2-1-4-11(14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b9-8+
InChIKeyRKPDMZPXIYYKGR-CMDGGOBGSA-N
MW335.19 g/mol
LogP3.74
Rot. Bonds4

About 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide

2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide (PubChem CID 732562) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide
PubChem CID732562
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12-5-3-6-13(18)10(12)8-9-15(21)20-14-7-2-1-4-11(14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b9-8+
InChIKeyRKPDMZPXIYYKGR-CMDGGOBGSA-N
XLogP3.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.74
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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Related Compounds

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CID 3963
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CID 78142
Benzamide, N-(4-chlorophenyl)-
CID 96646
2-(Acetylamino)benzamide
CID 118553
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
Alpha-(2,6-dichlorophenyl)-alpha-(2-acetyl-5-methylanilino)acetamide
CID 449080
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
CID 3653116
2,2'-Dichlorobenzanilide
CID 221407

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide (CID 732562) is 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide?
The InChIKey is RKPDMZPXIYYKGR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-12-5-3-6-13(18)10(12)8-9-15(21)20-14-7-2-1-4-11(14)16(19)22/h1-9H,(H2,19,22)(H,20,21)/b9-8+.
What are the key properties of 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide?
2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide has a molecular weight of 335.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 732562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).