N-(3-iodophenyl)-3,3-diphenylpropanamide

C21H18INO — CID 1297500

IUPACN-(3-iodophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C21H18INO/c22-18-12-7-13-19(14-18)23-21(24)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,24)
InChIKeyGKCDABRZAAIAAC-UHFFFAOYSA-N
MW427.29 g/mol
LogP5.45
Rot. Bonds5

About N-(3-iodophenyl)-3,3-diphenylpropanamide

N-(3-iodophenyl)-3,3-diphenylpropanamide (PubChem CID 1297500) has the molecular formula C21H18INO and a molecular weight of 427.29 g/mol. Its IUPAC name is N-(3-iodophenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-3,3-diphenylpropanamide
PubChem CID1297500
Molecular FormulaC21H18INO
Molecular Weight427.29 g/mol
Exact Mass427.04
IUPAC NameN-(3-iodophenyl)-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(I)c1
InChIInChI=1S/C21H18INO/c22-18-12-7-13-19(14-18)23-21(24)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,24)
InChIKeyGKCDABRZAAIAAC-UHFFFAOYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
(3R)-N-(3-iodophenyl)-3-methylpent-4-ynamide
CID 176889518
5-(3,3-diphenylpropanoylamino)benzene-1,3-dicarboxylic acid
CID 45428443
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
CID 61186265
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194447

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(3-iodophenyl)-3,3-diphenylpropanamide (CID 1297500) is N-(3-iodophenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(3-iodophenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(3-iodophenyl)-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-3,3-diphenylpropanamide?
The InChIKey is GKCDABRZAAIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18INO/c22-18-12-7-13-19(14-18)23-21(24)15-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2,(H,23,24).
What are the key properties of N-(3-iodophenyl)-3,3-diphenylpropanamide?
N-(3-iodophenyl)-3,3-diphenylpropanamide has a molecular weight of 427.29 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 1297500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).