3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide

C19H20I2N2O2 — CID 139955285

IUPAC3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide
SMILESO=C(CCI)Nc1cccc(Cc2cccc(NC(=O)CCI)c2)c1
InChIInChI=1S/C19H20I2N2O2/c20-9-7-18(24)22-16-5-1-3-14(12-16)11-15-4-2-6-17(13-15)23-19(25)8-10-21/h1-6,12-13H,7-11H2,(H,22,24)(H,23,25)
InChIKeyLVWLYMQZSOHTNC-UHFFFAOYSA-N
MW562.19 g/mol
LogP4.80
Rot. Bonds8

About 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide

3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide (PubChem CID 139955285) has the molecular formula C19H20I2N2O2 and a molecular weight of 562.19 g/mol. Its IUPAC name is 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide
PubChem CID139955285
Molecular FormulaC19H20I2N2O2
Molecular Weight562.19 g/mol
Exact Mass561.96
IUPAC Name3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide
SMILESO=C(CCI)Nc1cccc(Cc2cccc(NC(=O)CCI)c2)c1
InChIInChI=1S/C19H20I2N2O2/c20-9-7-18(24)22-16-5-1-3-14(12-16)11-15-4-2-6-17(13-15)23-19(25)8-10-21/h1-6,12-13H,7-11H2,(H,22,24)(H,23,25)
InChIKeyLVWLYMQZSOHTNC-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.19
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-benzylphenyl)-3-hydroxypropanamide
CID 142480004
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
N-(3-benzylphenyl)propanamide
CID 70797974
3-[heptyl(pentyl)amino]-N-[3-[[3-[3-[heptyl(pentyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954936
3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149
4-[methyl(nonyl)amino]-N-[3-[[3-[4-[methyl(nonyl)amino]butanoylamino]phenyl]methyl]phenyl]butanamide
CID 139954348
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
4-hydroxy-N-[3-(methylaminomethyl)phenyl]pentanamide
CID 79192534
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide?
The IUPAC name of 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide (CID 139955285) is 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide.
What is the SMILES notation for 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide?
The canonical SMILES for 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide is O=C(CCI)Nc1cccc(Cc2cccc(NC(=O)CCI)c2)c1.
What is the InChIKey of 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide?
The InChIKey is LVWLYMQZSOHTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20I2N2O2/c20-9-7-18(24)22-16-5-1-3-14(12-16)11-15-4-2-6-17(13-15)23-19(25)8-10-21/h1-6,12-13H,7-11H2,(H,22,24)(H,23,25).
What are the key properties of 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide?
3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide has a molecular weight of 562.19 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-[[3-(3-iodopropanoylamino)phenyl]methyl]phenyl]propanamide is sourced from PubChem (CID 139955285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).