2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide

C18H18I2N2O2 — CID 43833989

IUPAC2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1I)C(=O)c1ccccc1I
InChIInChI=1S/C18H18I2N2O2/c1-22(18(24)14-8-3-5-10-16(14)20)12-6-11-21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,11-12H2,1H3,(H,21,23)
InChIKeyATFBBUROEBKYHH-UHFFFAOYSA-N
MW548.16 g/mol
LogP3.79
Rot. Bonds6

About 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide

2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide (PubChem CID 43833989) has the molecular formula C18H18I2N2O2 and a molecular weight of 548.16 g/mol. Its IUPAC name is 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
PubChem CID43833989
Molecular FormulaC18H18I2N2O2
Molecular Weight548.16 g/mol
Exact Mass547.95
IUPAC Name2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1I)C(=O)c1ccccc1I
InChIInChI=1S/C18H18I2N2O2/c1-22(18(24)14-8-3-5-10-16(14)20)12-6-11-21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,11-12H2,1H3,(H,21,23)
InChIKeyATFBBUROEBKYHH-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.16
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
N-(5-hydroxypentyl)-2-iodobenzamide
CID 107317870
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-iodo-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 113229092

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide?
The IUPAC name of 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide (CID 43833989) is 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide.
What is the SMILES notation for 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide?
The canonical SMILES for 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide is CN(CCCNC(=O)c1ccccc1I)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide?
The InChIKey is ATFBBUROEBKYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18I2N2O2/c1-22(18(24)14-8-3-5-10-16(14)20)12-6-11-21-17(23)13-7-2-4-9-15(13)19/h2-5,7-10H,6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide?
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide has a molecular weight of 548.16 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide is sourced from PubChem (CID 43833989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).