2-amino-3-pyrrolidin-2-ylbenzamide

C11H15N3O — CID 18403954

IUPAC2-amino-3-pyrrolidin-2-ylbenzamide
SMILESNC(=O)c1cccc(C2CCCN2)c1N
InChIInChI=1S/C11H15N3O/c12-10-7(9-5-2-6-14-9)3-1-4-8(10)11(13)15/h1,3-4,9,14H,2,5-6,12H2,(H2,13,15)
InChIKeyBPLURBNAYIDKPI-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.79
Rot. Bonds2

About 2-amino-3-pyrrolidin-2-ylbenzamide

2-amino-3-pyrrolidin-2-ylbenzamide (PubChem CID 18403954) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-3-pyrrolidin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-pyrrolidin-2-ylbenzamide
PubChem CID18403954
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-amino-3-pyrrolidin-2-ylbenzamide
SMILESNC(=O)c1cccc(C2CCCN2)c1N
InChIInChI=1S/C11H15N3O/c12-10-7(9-5-2-6-14-9)3-1-4-8(10)11(13)15/h1,3-4,9,14H,2,5-6,12H2,(H2,13,15)
InChIKeyBPLURBNAYIDKPI-UHFFFAOYSA-N
XLogP0.79
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
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 2-amino-3-pyrrolidin-2-ylbenzamide?
The IUPAC name of 2-amino-3-pyrrolidin-2-ylbenzamide (CID 18403954) is 2-amino-3-pyrrolidin-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-pyrrolidin-2-ylbenzamide?
The canonical SMILES for 2-amino-3-pyrrolidin-2-ylbenzamide is NC(=O)c1cccc(C2CCCN2)c1N.
What is the InChIKey of 2-amino-3-pyrrolidin-2-ylbenzamide?
The InChIKey is BPLURBNAYIDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-10-7(9-5-2-6-14-9)3-1-4-8(10)11(13)15/h1,3-4,9,14H,2,5-6,12H2,(H2,13,15).
What are the key properties of 2-amino-3-pyrrolidin-2-ylbenzamide?
2-amino-3-pyrrolidin-2-ylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyrrolidin-2-ylbenzamide is sourced from PubChem (CID 18403954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).