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

C16H20ClF2N3O3 — CID 166024263

IUPAC4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1Cl
InChIInChI=1S/C16H20ClF2N3O3/c1-9(23)20-14-3-2-10(6-12(14)17)15(24)21-11-7-13(19)16(25)22(8-11)5-4-18/h7-8,10,12,14H,2-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyKDGPKNWFJPZWDS-UHFFFAOYSA-N
MW375.80 g/mol
LogP1.81
Rot. Bonds5

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

4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 166024263) has the molecular formula C16H20ClF2N3O3 and a molecular weight of 375.80 g/mol. Its IUPAC name is 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
PubChem CID166024263
Molecular FormulaC16H20ClF2N3O3
Molecular Weight375.80 g/mol
Exact Mass375.12
IUPAC Name4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1Cl
InChIInChI=1S/C16H20ClF2N3O3/c1-9(23)20-14-3-2-10(6-12(14)17)15(24)21-11-7-13(19)16(25)22(8-11)5-4-18/h7-8,10,12,14H,2-6H2,1H3,(H,20,23)(H,21,24)
InChIKeyKDGPKNWFJPZWDS-UHFFFAOYSA-N
XLogP1.81
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide (CID 166024263) is 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is CC(=O)NC1CCC(C(=O)Nc2cc(F)c(=O)n(CCF)c2)CC1Cl.
What is the InChIKey of 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is KDGPKNWFJPZWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N3O3/c1-9(23)20-14-3-2-10(6-12(14)17)15(24)21-11-7-13(19)16(25)22(8-11)5-4-18/h7-8,10,12,14H,2-6H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide?
4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 375.80 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 166024263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).