(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone

C17H19ClN2O2 — CID 86911368

IUPAC(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-14-7-5-12(6-8-14)16-4-3-9-20(16)17(21)15-10-13(18)11-19-15/h5-8,10-11,16,19H,2-4,9H2,1H3
InChIKeyUMOFEWYOEDFMAF-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.04
Rot. Bonds4

About (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 86911368) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID86911368
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-14-7-5-12(6-8-14)16-4-3-9-20(16)17(21)15-10-13(18)11-19-15/h5-8,10-11,16,19H,2-4,9H2,1H3
InChIKeyUMOFEWYOEDFMAF-UHFFFAOYSA-N
XLogP4.04
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
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N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
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[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
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(7-chloro-1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
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[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone (CID 86911368) is (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is CCOc1ccc(C2CCCN2C(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is UMOFEWYOEDFMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-14-7-5-12(6-8-14)16-4-3-9-20(16)17(21)15-10-13(18)11-19-15/h5-8,10-11,16,19H,2-4,9H2,1H3.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 318.80 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86911368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).