3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

C15H18ClIN2O2 — CID 103735178

IUPAC3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H18ClIN2O2/c1-10(15(21)19-7-3-2-4-8-19)18-14(20)11-5-6-13(17)12(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyZPYVBTYWUIYNET-UHFFFAOYSA-N
MW420.68 g/mol
LogP3.08
Rot. Bonds3

About 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 103735178) has the molecular formula C15H18ClIN2O2 and a molecular weight of 420.68 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID103735178
Molecular FormulaC15H18ClIN2O2
Molecular Weight420.68 g/mol
Exact Mass420.01
IUPAC Name3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(I)c(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H18ClIN2O2/c1-10(15(21)19-7-3-2-4-8-19)18-14(20)11-5-6-13(17)12(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyZPYVBTYWUIYNET-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.68
LogP ≤ 53.08
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

1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
3-chloro-N-(1-cyclobutylethyl)-4-iodobenzamide
CID 103222229
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
4-chloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119418273
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (CID 103735178) is 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(I)c(Cl)c1)C(=O)N1CCCCC1.
What is the InChIKey of 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is ZPYVBTYWUIYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClIN2O2/c1-10(15(21)19-7-3-2-4-8-19)18-14(20)11-5-6-13(17)12(16)9-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide has a molecular weight of 420.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103735178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).