chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride

C16H25Cl2N3O2 — CID 174951648

IUPACchlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCCC1C(C(N)=O)C(C(N)=O)CN1CC.Cl.Clc1ccccc1
InChIInChI=1S/C10H19N3O2.C6H5Cl.ClH/c1-3-7-8(10(12)15)6(9(11)14)5-13(7)4-2;7-6-4-2-1-3-5-6;/h6-8H,3-5H2,1-2H3,(H2,11,14)(H2,12,15);1-5H;1H
InChIKeyWBGAOQLXWYDXTQ-UHFFFAOYSA-N
MW362.30 g/mol
LogP2.07
Rot. Bonds4

About chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride

chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride (PubChem CID 174951648) has the molecular formula C16H25Cl2N3O2 and a molecular weight of 362.30 g/mol. Its IUPAC name is chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Namechlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride
PubChem CID174951648
Molecular FormulaC16H25Cl2N3O2
Molecular Weight362.30 g/mol
Exact Mass361.13
IUPAC Namechlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride
SMILESCCC1C(C(N)=O)C(C(N)=O)CN1CC.Cl.Clc1ccccc1
InChIInChI=1S/C10H19N3O2.C6H5Cl.ClH/c1-3-7-8(10(12)15)6(9(11)14)5-13(7)4-2;7-6-4-2-1-3-5-6;/h6-8H,3-5H2,1-2H3,(H2,11,14)(H2,12,15);1-5H;1H
InChIKeyWBGAOQLXWYDXTQ-UHFFFAOYSA-N
XLogP2.07
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The IUPAC name of chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride (CID 174951648) is chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride.
What is the SMILES notation for chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The canonical SMILES for chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride is CCC1C(C(N)=O)C(C(N)=O)CN1CC.Cl.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride?
The InChIKey is WBGAOQLXWYDXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2.C6H5Cl.ClH/c1-3-7-8(10(12)15)6(9(11)14)5-13(7)4-2;7-6-4-2-1-3-5-6;/h6-8H,3-5H2,1-2H3,(H2,11,14)(H2,12,15);1-5H;1H.
What are the key properties of chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride?
chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride has a molecular weight of 362.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1,2-diethylpyrrolidine-3,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 174951648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).