4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide

C16H13ClINO2 — CID 26757687

IUPAC4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(I)c1
InChIInChI=1S/C16H13ClINO2/c17-12-6-4-11(5-7-12)15(20)8-9-16(21)19-14-3-1-2-13(18)10-14/h1-7,10H,8-9H2,(H,19,21)
InChIKeyGSOZECFTRAGDCO-UHFFFAOYSA-N
MW413.64 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide (PubChem CID 26757687) has the molecular formula C16H13ClINO2 and a molecular weight of 413.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
PubChem CID26757687
Molecular FormulaC16H13ClINO2
Molecular Weight413.64 g/mol
Exact Mass412.97
IUPAC Name4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(I)c1
InChIInChI=1S/C16H13ClINO2/c17-12-6-4-11(5-7-12)15(20)8-9-16(21)19-14-3-1-2-13(18)10-14/h1-7,10H,8-9H2,(H,19,21)
InChIKeyGSOZECFTRAGDCO-UHFFFAOYSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.64
LogP ≤ 54.55
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)-4-(4-methylphenyl)-4-oxobutanamide
CID 26757675
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
2-(2,4-dichlorophenyl)-N-(3-iodophenyl)acetamide
CID 7928403
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
4-(4-chlorophenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-4-oxobutanamide
CID 86962233
4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 3595670

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide (CID 26757687) is 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cccc(I)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide?
The InChIKey is GSOZECFTRAGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClINO2/c17-12-6-4-11(5-7-12)15(20)8-9-16(21)19-14-3-1-2-13(18)10-14/h1-7,10H,8-9H2,(H,19,21).
What are the key properties of 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide has a molecular weight of 413.64 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide is sourced from PubChem (CID 26757687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).