2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide

C21H17IN2O2 — CID 1089815

IUPAC2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)c1
InChIInChI=1S/C21H17IN2O2/c1-14-5-4-6-15(13-14)20(25)23-16-9-11-17(12-10-16)24-21(26)18-7-2-3-8-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyBQLFWASQLPDKAD-UHFFFAOYSA-N
MW456.28 g/mol
LogP5.10
Rot. Bonds4

About 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide

2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide (PubChem CID 1089815) has the molecular formula C21H17IN2O2 and a molecular weight of 456.28 g/mol. Its IUPAC name is 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
PubChem CID1089815
Molecular FormulaC21H17IN2O2
Molecular Weight456.28 g/mol
Exact Mass456.03
IUPAC Name2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)c1
InChIInChI=1S/C21H17IN2O2/c1-14-5-4-6-15(13-14)20(25)23-16-9-11-17(12-10-16)24-21(26)18-7-2-3-8-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyBQLFWASQLPDKAD-UHFFFAOYSA-N
XLogP5.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.28
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
2-iodo-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 1302991
N-(4-benzoylphenyl)-2-iodobenzamide
CID 1010139
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide (CID 1089815) is 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3I)cc2)c1.
What is the InChIKey of 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
The InChIKey is BQLFWASQLPDKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17IN2O2/c1-14-5-4-6-15(13-14)20(25)23-16-9-11-17(12-10-16)24-21(26)18-7-2-3-8-19(18)22/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide?
2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide has a molecular weight of 456.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 1089815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).