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N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride

C15H21Cl2FN2O — CID 119325005

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-15(2,11-6-5-10(17)8-12(11)16)9-19-14(20)13-4-3-7-18-13;/h5-6,8,13,18H,3-4,7,9H2,1-2H3,(H,19,20);1H
InChIKeyXTFPQBDVAGGBNY-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119325005) has the molecular formula C15H21Cl2FN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119325005
Molecular FormulaC15H21Cl2FN2O
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C15H20ClFN2O.ClH/c1-15(2,11-6-5-10(17)8-12(11)16)9-19-14(20)13-4-3-7-18-13;/h5-6,8,13,18H,3-4,7,9H2,1-2H3,(H,19,20);1H
InChIKeyXTFPQBDVAGGBNY-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119325005) is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CCCN1)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XTFPQBDVAGGBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O.ClH/c1-15(2,11-6-5-10(17)8-12(11)16)9-19-14(20)13-4-3-7-18-13;/h5-6,8,13,18H,3-4,7,9H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 335.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119325005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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