N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide

C21H18IN3O2 — CID 29265811

IUPACN-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H18IN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)25-17-12-10-16(11-13-17)24-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,23,27)(H,25,26)
InChIKeyZEWGYFHIYPYJSR-UHFFFAOYSA-N
MW471.30 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide

N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide (PubChem CID 29265811) has the molecular formula C21H18IN3O2 and a molecular weight of 471.30 g/mol. Its IUPAC name is N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
PubChem CID29265811
Molecular FormulaC21H18IN3O2
Molecular Weight471.30 g/mol
Exact Mass471.04
IUPAC NameN-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H18IN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)25-17-12-10-16(11-13-17)24-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,23,27)(H,25,26)
InChIKeyZEWGYFHIYPYJSR-UHFFFAOYSA-N
XLogP4.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 4941925
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
butyl 4-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoate
CID 35143035
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
CID 55548156
methyl 2-[[3-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55848356
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 30267909
2-iodo-N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55510358
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
CID 55519361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide (CID 29265811) is N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide is O=C(CNC(=O)c1ccccc1I)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide?
The InChIKey is ZEWGYFHIYPYJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)25-17-12-10-16(11-13-17)24-15-6-2-1-3-7-15/h1-13,24H,14H2,(H,23,27)(H,25,26).
What are the key properties of N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide?
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide has a molecular weight of 471.30 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 29265811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).