2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

C17H14ClIN2O — CID 3623202

IUPAC2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1cc(I)ccc1Cl)=Cc1ccccc1
InChIInChI=1S/C17H14ClIN2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-10-14(19)7-8-16(15)18/h2-11H,1H3,(H,21,22)
InChIKeyZWRVHYYDAMXXKJ-UHFFFAOYSA-N
MW424.67 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 3623202) has the molecular formula C17H14ClIN2O and a molecular weight of 424.67 g/mol. Its IUPAC name is 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID3623202
Molecular FormulaC17H14ClIN2O
Molecular Weight424.67 g/mol
Exact Mass423.98
IUPAC Name2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1cc(I)ccc1Cl)=Cc1ccccc1
InChIInChI=1S/C17H14ClIN2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-10-14(19)7-8-16(15)18/h2-11H,1H3,(H,21,22)
InChIKeyZWRVHYYDAMXXKJ-UHFFFAOYSA-N
XLogP4.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
3,4-dichloro-N-[2-[2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 3604204
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
3-(4-chlorophenyl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-1H-pyrazole-5-carboxamide
CID 1362287
3-(2-chlorophenyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6862681
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (CID 3623202) is 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is CC(C=NNC(=O)c1cc(I)ccc1Cl)=Cc1ccccc1.
What is the InChIKey of 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is ZWRVHYYDAMXXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClIN2O/c1-12(9-13-5-3-2-4-6-13)11-20-21-17(22)15-10-14(19)7-8-16(15)18/h2-11H,1H3,(H,21,22).
What are the key properties of 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 424.67 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 3623202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).