(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

C13H16ClN3O2 — CID 9405076

IUPAC(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c14-9-3-5-10(6-4-9)16-12(18)8-17-7-1-2-11(17)13(15)19/h3-6,11H,1-2,7-8H2,(H2,15,19)(H,16,18)/t11-/m1/s1
InChIKeyKLRGOPAGLHQUOX-LLVKDONJSA-N
MW281.74 g/mol
LogP1.23
Rot. Bonds4

About (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 9405076) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID9405076
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2/c14-9-3-5-10(6-4-9)16-12(18)8-17-7-1-2-11(17)13(15)19/h3-6,11H,1-2,7-8H2,(H2,15,19)(H,16,18)/t11-/m1/s1
InChIKeyKLRGOPAGLHQUOX-LLVKDONJSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
1-N-(4-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 110473498
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide (CID 9405076) is (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is KLRGOPAGLHQUOX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-3-5-10(6-4-9)16-12(18)8-17-7-1-2-11(17)13(15)19/h3-6,11H,1-2,7-8H2,(H2,15,19)(H,16,18)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 9405076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).