N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide

C14H14Cl2N2O2 — CID 110445238

IUPACN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2(c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(10(16)7-8)14(5-6-14)18-13(20)11-3-4-12(19)17-11/h1-2,7,11H,3-6H2,(H,17,19)(H,18,20)
InChIKeyMKRJTJPKJAQDIX-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.38
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide

N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110445238) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110445238
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC2(c3ccc(Cl)cc3Cl)CC2)N1
InChIInChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(10(16)7-8)14(5-6-14)18-13(20)11-3-4-12(19)17-11/h1-2,7,11H,3-6H2,(H,17,19)(H,18,20)
InChIKeyMKRJTJPKJAQDIX-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide (CID 110445238) is N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide is O=C1CCC(C(=O)NC2(c3ccc(Cl)cc3Cl)CC2)N1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MKRJTJPKJAQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(10(16)7-8)14(5-6-14)18-13(20)11-3-4-12(19)17-11/h1-2,7,11H,3-6H2,(H,17,19)(H,18,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide?
N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110445238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).