3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C15H20Cl2N2O — CID 46882860

IUPAC3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
InChIKeyIECZTWNGAWLQAQ-AWEZNQCLSA-N
MW315.24 g/mol
LogP3.45
Rot. Bonds4

About 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 46882860) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID46882860
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
InChIKeyIECZTWNGAWLQAQ-AWEZNQCLSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-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 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 46882860) is 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1cc(Cl)cc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is IECZTWNGAWLQAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 315.24 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 46882860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).