N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide

C22H18IN3O — CID 78110173

IUPACN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(I)cc3)ccc21
InChIInChI=1S/C22H18IN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyPAEOIYJXJXBIHW-UHFFFAOYSA-N
MW467.31 g/mol
LogP5.18
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide

N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide (PubChem CID 78110173) has the molecular formula C22H18IN3O and a molecular weight of 467.31 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
PubChem CID78110173
Molecular FormulaC22H18IN3O
Molecular Weight467.31 g/mol
Exact Mass467.05
IUPAC NameN-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(I)cc3)ccc21
InChIInChI=1S/C22H18IN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyPAEOIYJXJXBIHW-UHFFFAOYSA-N
XLogP5.18
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 92847405
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
N-[(Z)-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutan-2-ylidene]amino]-4-iodobenzamide
CID 6157977
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide (CID 78110173) is N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide is CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(I)cc3)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide?
The InChIKey is PAEOIYJXJXBIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18IN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide?
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide has a molecular weight of 467.31 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide is sourced from PubChem (CID 78110173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).