3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

C15H20Cl2N2O — CID 11174494

IUPAC3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyZMEHJZMEBDWMRH-LBPRGKRZSA-N
MW315.24 g/mol
LogP3.45
Rot. Bonds4

About 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide

3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11174494) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11174494
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyZMEHJZMEBDWMRH-LBPRGKRZSA-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11174494) is 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is ZMEHJZMEBDWMRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide?
3,4-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 3,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11174494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).