2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

C14H19ClN2O — CID 47306917

IUPAC2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-5-8-13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyMYIALDWPAWEZKQ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.59
Rot. Bonds2

About 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide

2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 47306917) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID47306917
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-5-8-13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18)
InChIKeyMYIALDWPAWEZKQ-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 47306917) is 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is MYIALDWPAWEZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(2)16-14(18)17-9-5-8-13(17)11-6-3-4-7-12(11)15/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide?
2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47306917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).