2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

C17H14Cl2N2O — CID 3752825

IUPAC2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccc(Cl)cc1Cl)=Cc1ccccc1
InChIInChI=1S/C17H14Cl2N2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-8-7-14(18)10-16(15)19/h2-11H,1H3,(H,21,22)
InChIKeyXXAOIPTVDRGEBS-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.81
Rot. Bonds4

About 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 3752825) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID3752825
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccc(Cl)cc1Cl)=Cc1ccccc1
InChIInChI=1S/C17H14Cl2N2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-8-7-14(18)10-16(15)19/h2-11H,1H3,(H,21,22)
InChIKeyXXAOIPTVDRGEBS-UHFFFAOYSA-N
XLogP4.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2,4-dichloro-N-(ethylideneamino)benzamide
CID 3608480
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
3-(4-chlorophenyl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-1H-pyrazole-5-carboxamide
CID 1362287
2,4-dichloro-N-[(Z)-1-phenylprop-1-en-2-yl]sulfonylbenzamide
CID 69432024
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (CID 3752825) is 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is CC(C=NNC(=O)c1ccc(Cl)cc1Cl)=Cc1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is XXAOIPTVDRGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-8-7-14(18)10-16(15)19/h2-11H,1H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 333.22 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 3752825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).