N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide

C23H19I2NO2 — CID 157332713

IUPACN-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide
SMILESO=C(CCc1cccc(I)c1)c1cccc(C(=O)NCc2cccc(I)c2)c1
InChIInChI=1S/C23H19I2NO2/c24-20-8-1-4-16(12-20)10-11-22(27)18-6-3-7-19(14-18)23(28)26-15-17-5-2-9-21(25)13-17/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyIWNFBJIHCGFFPE-UHFFFAOYSA-N
MW595.22 g/mol
LogP5.64
Rot. Bonds7

About N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide

N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide (PubChem CID 157332713) has the molecular formula C23H19I2NO2 and a molecular weight of 595.22 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide
PubChem CID157332713
Molecular FormulaC23H19I2NO2
Molecular Weight595.22 g/mol
Exact Mass594.95
IUPAC NameN-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide
SMILESO=C(CCc1cccc(I)c1)c1cccc(C(=O)NCc2cccc(I)c2)c1
InChIInChI=1S/C23H19I2NO2/c24-20-8-1-4-16(12-20)10-11-22(27)18-6-3-7-19(14-18)23(28)26-15-17-5-2-9-21(25)13-17/h1-9,12-14H,10-11,15H2,(H,26,28)
InChIKeyIWNFBJIHCGFFPE-UHFFFAOYSA-N
XLogP5.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.22
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]-3-iodobenzamide
CID 76932775
N-[(4-acetamidophenyl)methyl]-3-iodobenzamide
CID 30380398
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-iodophenyl)propan-1-one
CID 114974271
3-iodo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 18204122
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide?
The IUPAC name of N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide (CID 157332713) is N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide.
What is the SMILES notation for N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide?
The canonical SMILES for N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide is O=C(CCc1cccc(I)c1)c1cccc(C(=O)NCc2cccc(I)c2)c1.
What is the InChIKey of N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide?
The InChIKey is IWNFBJIHCGFFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19I2NO2/c24-20-8-1-4-16(12-20)10-11-22(27)18-6-3-7-19(14-18)23(28)26-15-17-5-2-9-21(25)13-17/h1-9,12-14H,10-11,15H2,(H,26,28).
What are the key properties of N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide?
N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide has a molecular weight of 595.22 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]-3-[3-(3-iodophenyl)propanoyl]benzamide is sourced from PubChem (CID 157332713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).