(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H13ClN2O2 — CID 62916789

IUPAC(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2
InChIKeyGQAANZZLBUEQPW-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.13
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62916789) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62916789
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(O)C2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2
InChIKeyGQAANZZLBUEQPW-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(4-amino-2-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168035
(4-amino-2-chlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 113267297
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(4-amino-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 119671331
(4-amino-2-chlorophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63167985
(4-amino-2-chlorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372653
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
[5-amino-2-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916446
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 62916789) is (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(O)C2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is GQAANZZLBUEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-10-5-7(13)1-2-9(10)11(16)14-4-3-8(15)6-14/h1-2,5,8,15H,3-4,6,13H2.
What are the key properties of (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62916789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).