2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide

C12H15Cl2FN4O2 — CID 166024364

IUPAC2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
SMILESCN1C(Cl)NCC1C(=O)Nc1cc(Cl)c(=O)n(CCF)c1
InChIInChI=1S/C12H15Cl2FN4O2/c1-18-9(5-16-12(18)14)10(20)17-7-4-8(13)11(21)19(6-7)3-2-15/h4,6,9,12,16H,2-3,5H2,1H3,(H,17,20)
InChIKeyNXRKICPIXDWPLQ-UHFFFAOYSA-N
MW337.18 g/mol
LogP0.84
Rot. Bonds4

About 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide

2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide (PubChem CID 166024364) has the molecular formula C12H15Cl2FN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
PubChem CID166024364
Molecular FormulaC12H15Cl2FN4O2
Molecular Weight337.18 g/mol
Exact Mass336.06
IUPAC Name2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide
SMILESCN1C(Cl)NCC1C(=O)Nc1cc(Cl)c(=O)n(CCF)c1
InChIInChI=1S/C12H15Cl2FN4O2/c1-18-9(5-16-12(18)14)10(20)17-7-4-8(13)11(21)19(6-7)3-2-15/h4,6,9,12,16H,2-3,5H2,1H3,(H,17,20)
InChIKeyNXRKICPIXDWPLQ-UHFFFAOYSA-N
XLogP0.84
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide?
The IUPAC name of 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide (CID 166024364) is 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide is CN1C(Cl)NCC1C(=O)Nc1cc(Cl)c(=O)n(CCF)c1.
What is the InChIKey of 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide?
The InChIKey is NXRKICPIXDWPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2FN4O2/c1-18-9(5-16-12(18)14)10(20)17-7-4-8(13)11(21)19(6-7)3-2-15/h4,6,9,12,16H,2-3,5H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide?
2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-3-methylimidazolidine-4-carboxamide is sourced from PubChem (CID 166024364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).