3-(4-chlorophenyl)pyrrolidine-3-carboxamide

C11H13ClN2O — CID 70821859

IUPAC3-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(10(13)15)5-6-14-7-11/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyBPZBGNXICXXGSK-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.06
Rot. Bonds2

About 3-(4-chlorophenyl)pyrrolidine-3-carboxamide

3-(4-chlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 70821859) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)pyrrolidine-3-carboxamide
PubChem CID70821859
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-(4-chlorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(c2ccc(Cl)cc2)CCNC1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(10(13)15)5-6-14-7-11/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyBPZBGNXICXXGSK-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)pyrrolidine-3-carboxamide (CID 70821859) is 3-(4-chlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)pyrrolidine-3-carboxamide is NC(=O)C1(c2ccc(Cl)cc2)CCNC1.
What is the InChIKey of 3-(4-chlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is BPZBGNXICXXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)11(10(13)15)5-6-14-7-11/h1-4,14H,5-7H2,(H2,13,15).
What are the key properties of 3-(4-chlorophenyl)pyrrolidine-3-carboxamide?
3-(4-chlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 224.69 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 70821859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).