(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone

C13H16Cl2N2O — CID 112548037

IUPAC(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-2-8-3-4-17(7-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7,16H2,1H3
InChIKeyZOALZKMIQGPJKJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.45
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone

(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone (PubChem CID 112548037) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
PubChem CID112548037
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-2-8-3-4-17(7-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7,16H2,1H3
InChIKeyZOALZKMIQGPJKJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
2-[1-(4-amino-3,5-dichlorobenzoyl)pyrrolidin-3-yl]acetic acid
CID 82833380
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-amino-3,5-dichlorophenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82813283
[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
(4-amino-3,5-dichlorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 82832883
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone (CID 112548037) is (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone is CCC1CCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone?
The InChIKey is ZOALZKMIQGPJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-2-8-3-4-17(7-8)13(18)9-5-10(14)12(16)11(15)6-9/h5-6,8H,2-4,7,16H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone?
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone has a molecular weight of 287.19 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 112548037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).