4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

C12H14ClN3O2 — CID 113266759

IUPAC4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C12H14ClN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(14)6-9(8)13/h2-3,6,10H,4-5,14H2,1H3,(H,15,17)
InChIKeyDTVAFINEMWWBIG-UHFFFAOYSA-N
MW267.72 g/mol
LogP0.88
Rot. Bonds2

About 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide

4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (PubChem CID 113266759) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
PubChem CID113266759
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)cc2Cl)C1=O
InChIInChI=1S/C12H14ClN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(14)6-9(8)13/h2-3,6,10H,4-5,14H2,1H3,(H,15,17)
InChIKeyDTVAFINEMWWBIG-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide (CID 113266759) is 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2ccc(N)cc2Cl)C1=O.
What is the InChIKey of 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
The InChIKey is DTVAFINEMWWBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-5-4-10(12(16)18)15-11(17)8-3-2-7(14)6-9(8)13/h2-3,6,10H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide?
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide has a molecular weight of 267.72 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113266759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).