N-(cinnamylideneamino)-2-iodobenzamide

C16H13IN2O — CID 4982683

IUPACN-(cinnamylideneamino)-2-iodobenzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H13IN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)
InChIKeyCLJILHWHHBQZJG-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.72
Rot. Bonds4

About N-(cinnamylideneamino)-2-iodobenzamide

N-(cinnamylideneamino)-2-iodobenzamide (PubChem CID 4982683) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-iodobenzamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-iodobenzamide
PubChem CID4982683
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC NameN-(cinnamylideneamino)-2-iodobenzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H13IN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)
InChIKeyCLJILHWHHBQZJG-UHFFFAOYSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.72
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

N-[2-(2-cinnamylidenehydrazinyl)-2-oxoethyl]-2-iodobenzamide
CID 3859699
1,3-bis(cinnamylideneamino)urea
CID 2823909
2-[(4-methylbenzoyl)amino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 126007946
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
3,4,5-trimethoxy-N-[2-[[(Z)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 126002279
2-[(4-chlorophenyl)methoxy]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 45054541
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-iodobenzamide?
The IUPAC name of N-(cinnamylideneamino)-2-iodobenzamide (CID 4982683) is N-(cinnamylideneamino)-2-iodobenzamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-iodobenzamide?
The canonical SMILES for N-(cinnamylideneamino)-2-iodobenzamide is O=C(NN=CC=Cc1ccccc1)c1ccccc1I.
What is the InChIKey of N-(cinnamylideneamino)-2-iodobenzamide?
The InChIKey is CLJILHWHHBQZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20).
What are the key properties of N-(cinnamylideneamino)-2-iodobenzamide?
N-(cinnamylideneamino)-2-iodobenzamide has a molecular weight of 376.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-2-iodobenzamide is sourced from PubChem (CID 4982683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).