2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H16ClN3O2 — CID 70334221

IUPAC2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H16ClN3O2/c14-9-4-3-5-10(15)12(9)13(19)16-8-11(18)17-6-1-2-7-17/h3-5H,1-2,6-8,15H2,(H,16,19)
InChIKeyKRMQZJSWZBGFJE-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 70334221) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID70334221
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1cccc(Cl)c1C(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C13H16ClN3O2/c14-9-4-3-5-10(15)12(9)13(19)16-8-11(18)17-6-1-2-7-17/h3-5H,1-2,6-8,15H2,(H,16,19)
InChIKeyKRMQZJSWZBGFJE-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673
2-amino-6-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 63659855
2-(2-aminophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 115597732
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
2-amino-6-chloro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 63660422
2-(2-chlorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 110712323
2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride
CID 119380089
2-bromo-6-fluoro-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 115678936

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 70334221) is 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is Nc1cccc(Cl)c1C(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is KRMQZJSWZBGFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-4-3-5-10(15)12(9)13(19)16-8-11(18)17-6-1-2-7-17/h3-5H,1-2,6-8,15H2,(H,16,19).
What are the key properties of 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 281.74 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 70334221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).