(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide

C12H11Cl2FN2O2 — CID 146122047

IUPAC(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)N1
InChIInChI=1S/C12H11Cl2FN2O2/c13-7-4-6(5-8(14)11(7)15)16-12(19)9-2-1-3-10(18)17-9/h4-5,9H,1-3H2,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyMRFIWRDVEFAJGL-SECBINFHSA-N
MW305.14 g/mol
LogP2.74
Rot. Bonds2

About (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide

(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide (PubChem CID 146122047) has the molecular formula C12H11Cl2FN2O2 and a molecular weight of 305.14 g/mol. Its IUPAC name is (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
PubChem CID146122047
Molecular FormulaC12H11Cl2FN2O2
Molecular Weight305.14 g/mol
Exact Mass304.02
IUPAC Name(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)N1
InChIInChI=1S/C12H11Cl2FN2O2/c13-7-4-6(5-8(14)11(7)15)16-12(19)9-2-1-3-10(18)17-9/h4-5,9H,1-3H2,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyMRFIWRDVEFAJGL-SECBINFHSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(2R)-N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824880
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
2-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574334
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
CID 146122044
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
(2R)-N-(3-methyl-4-pyridin-4-ylphenyl)-6-oxopiperidine-2-carboxamide
CID 146125547

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide (CID 146122047) is (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)Nc2cc(Cl)c(F)c(Cl)c2)N1.
What is the InChIKey of (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide?
The InChIKey is MRFIWRDVEFAJGL-SECBINFHSA-N. The full InChI is InChI=1S/C12H11Cl2FN2O2/c13-7-4-6(5-8(14)11(7)15)16-12(19)9-2-1-3-10(18)17-9/h4-5,9H,1-3H2,(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide?
(2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide has a molecular weight of 305.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dichloro-4-fluorophenyl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146122047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).