2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide

C22H19IN2O3 — CID 2298863

IUPAC2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1I
InChIInChI=1S/C22H19IN2O3/c23-19-12-6-4-10-17(19)22(27)25-20-13-7-5-11-18(20)21(26)24-14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyKGRSERHXGMXSSO-UHFFFAOYSA-N
MW486.31 g/mol
LogP4.35
Rot. Bonds7

About 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide

2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide (PubChem CID 2298863) has the molecular formula C22H19IN2O3 and a molecular weight of 486.31 g/mol. Its IUPAC name is 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
PubChem CID2298863
Molecular FormulaC22H19IN2O3
Molecular Weight486.31 g/mol
Exact Mass486.04
IUPAC Name2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1I
InChIInChI=1S/C22H19IN2O3/c23-19-12-6-4-10-17(19)22(27)25-20-13-7-5-11-18(20)21(26)24-14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyKGRSERHXGMXSSO-UHFFFAOYSA-N
XLogP4.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.31
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
2-[(4-ethylbenzoyl)amino]-N-(2-phenoxyethyl)benzamide
CID 5298546
N-(2-methoxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17150371
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
3-cyclopropyl-1-methyl-N-[2-(2-phenoxyethylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 5301073
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
N-methyl-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17354042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide (CID 2298863) is 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide is O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1I.
What is the InChIKey of 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide?
The InChIKey is KGRSERHXGMXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O3/c23-19-12-6-4-10-17(19)22(27)25-20-13-7-5-11-18(20)21(26)24-14-15-28-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide?
2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide has a molecular weight of 486.31 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodobenzoyl)amino]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2298863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).