(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C15H16ClN3O — CID 115930359

IUPAC(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCC2c2ccc[nH]2)c1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-10(4-1-5-11(14)17)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1-2,4-6,8,13,18H,3,7,9,17H2
InChIKeyRJTDOEFZIBPFJA-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.23
Rot. Bonds2

About (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 115930359) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID115930359
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCCC2c2ccc[nH]2)c1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-10(4-1-5-11(14)17)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1-2,4-6,8,13,18H,3,7,9,17H2
InChIKeyRJTDOEFZIBPFJA-UHFFFAOYSA-N
XLogP3.23
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
(2-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 110873124
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
(5-bromo-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 65309796
(3-fluoro-4-pyridinyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 113240934
2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 115930359) is (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is Nc1cccc(C(=O)N2CCCC2c2ccc[nH]2)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RJTDOEFZIBPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-10(4-1-5-11(14)17)15(20)19-9-3-7-13(19)12-6-2-8-18-12/h1-2,4-6,8,13,18H,3,7,9,17H2.
What are the key properties of (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
(3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 289.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-chlorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115930359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).