2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

C14H16Cl2N2O2 — CID 18157050

IUPAC2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-11-5-3-4-10(13(11)16)14(20)17-7-6-12(19)18-8-1-2-9-18/h3-5H,1-2,6-9H2,(H,17,20)
InChIKeyKZQHSKJHIDWLOG-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.74
Rot. Bonds4

About 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide

2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 18157050) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID18157050
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCC(=O)N1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O2/c15-11-5-3-4-10(13(11)16)14(20)17-7-6-12(19)18-8-1-2-9-18/h3-5H,1-2,6-9H2,(H,17,20)
InChIKeyKZQHSKJHIDWLOG-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 56782028
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide (CID 18157050) is 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCC(=O)N1CCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is KZQHSKJHIDWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-11-5-3-4-10(13(11)16)14(20)17-7-6-12(19)18-8-1-2-9-18/h3-5H,1-2,6-9H2,(H,17,20).
What are the key properties of 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide?
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 315.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 18157050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).