3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide

C12H16ClN3O — CID 115300934

IUPAC3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
SMILESCNC1CCN(c2ccc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-15-9-4-5-16(7-9)11-3-2-8(12(14)17)6-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyBHNWUNTZKJDUBI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.24
Rot. Bonds3

About 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide

3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide (PubChem CID 115300934) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
PubChem CID115300934
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
SMILESCNC1CCN(c2ccc(C(N)=O)cc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-15-9-4-5-16(7-9)11-3-2-8(12(14)17)6-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyBHNWUNTZKJDUBI-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide?
The IUPAC name of 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide (CID 115300934) is 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide?
The canonical SMILES for 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide is CNC1CCN(c2ccc(C(N)=O)cc2Cl)C1.
What is the InChIKey of 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide?
The InChIKey is BHNWUNTZKJDUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-15-9-4-5-16(7-9)11-3-2-8(12(14)17)6-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide?
3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide has a molecular weight of 253.73 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 115300934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).