4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide

C12H12ClIN2O2 — CID 47478589

IUPAC4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H12ClIN2O2/c13-8-4-3-7(6-9(8)14)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyQVFDBVXCVARZGD-UHFFFAOYSA-N
MW378.60 g/mol
LogP1.95
Rot. Bonds2

About 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide

4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 47478589) has the molecular formula C12H12ClIN2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID47478589
Molecular FormulaC12H12ClIN2O2
Molecular Weight378.60 g/mol
Exact Mass377.96
IUPAC Name4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C12H12ClIN2O2/c13-8-4-3-7(6-9(8)14)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5H2,(H,15,18)(H,16,17)
InChIKeyQVFDBVXCVARZGD-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
2-(aminomethyl)-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 114326439
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
6-[(2-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 62092824
3-amino-4-ethoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 62094346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide (CID 47478589) is 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide is O=C(NC1CCCNC1=O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is QVFDBVXCVARZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2O2/c13-8-4-3-7(6-9(8)14)11(17)16-10-2-1-5-15-12(10)18/h3-4,6,10H,1-2,5H2,(H,15,18)(H,16,17).
What are the key properties of 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide?
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 378.60 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 47478589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).