4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

C11H16ClN3O — CID 62379148

IUPAC4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC1CCNC1
InChIInChI=1S/C11H16ClN3O/c1-2-15-7-8(12)5-10(15)11(16)14-9-3-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,16)
InChIKeyDEENMLITSNQVJS-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.25
Rot. Bonds3

About 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (PubChem CID 62379148) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
PubChem CID62379148
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)NC1CCNC1
InChIInChI=1S/C11H16ClN3O/c1-2-15-7-8(12)5-10(15)11(16)14-9-3-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,16)
InChIKeyDEENMLITSNQVJS-UHFFFAOYSA-N
XLogP1.25
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
4-bromo-1-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 79711659
N-(azetidin-3-yl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 66188396
4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
N-(3-aminopropyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 62267384
4-chloro-1-ethyl-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylpyrrole-2-carboxamide
CID 43639498
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 43639819
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(4-chloro-1-ethylpyrrol-2-yl)methanone
CID 43639494
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (CID 62379148) is 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)NC1CCNC1.
What is the InChIKey of 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The InChIKey is DEENMLITSNQVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-15-7-8(12)5-10(15)11(16)14-9-3-4-13-6-9/h5,7,9,13H,2-4,6H2,1H3,(H,14,16).
What are the key properties of 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 62379148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).