3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide

C15H20Cl2N2O — CID 11301501

IUPAC3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N(C(C)C)[C@@H]2CCNC2)ccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)19(11-6-7-18-8-11)15(20)12-4-5-13(16)14(17)10(12)3/h4-5,9,11,18H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyWDVSSBLBRVMZEM-LLVKDONJSA-N
MW315.24 g/mol
LogP3.51
Rot. Bonds3

About 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide

3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 11301501) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID11301501
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCc1c(C(=O)N(C(C)C)[C@@H]2CCNC2)ccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)19(11-6-7-18-8-11)15(20)12-4-5-13(16)14(17)10(12)3/h4-5,9,11,18H,6-8H2,1-3H3/t11-/m1/s1
InChIKeyWDVSSBLBRVMZEM-LLVKDONJSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-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 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 11301501) is 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide is Cc1c(C(=O)N(C(C)C)[C@@H]2CCNC2)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is WDVSSBLBRVMZEM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-9(2)19(11-6-7-18-8-11)15(20)12-4-5-13(16)14(17)10(12)3/h4-5,9,11,18H,6-8H2,1-3H3/t11-/m1/s1.
What are the key properties of 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide?
3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 315.24 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2-methyl-N-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11301501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).