2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide

C10H17FN2O2 — CID 22090837

IUPAC2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC(F)C1NC(C)=O
InChIInChI=1S/C10H17FN2O2/c1-6(14)13-9-7(10(15)12-2)4-3-5-8(9)11/h7-9H,3-5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMHPKJJCOFOUBIO-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.38
Rot. Bonds2

About 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide

2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide (PubChem CID 22090837) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
PubChem CID22090837
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCCC(F)C1NC(C)=O
InChIInChI=1S/C10H17FN2O2/c1-6(14)13-9-7(10(15)12-2)4-3-5-8(9)11/h7-9H,3-5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMHPKJJCOFOUBIO-UHFFFAOYSA-N
XLogP0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2582372
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2-amino-N-methylcyclohexane-1-carboxamide
CID 13697510
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CID 110201220
(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide (CID 22090837) is 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCCC(F)C1NC(C)=O.
What is the InChIKey of 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide?
The InChIKey is MHPKJJCOFOUBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-6(14)13-9-7(10(15)12-2)4-3-5-8(9)11/h7-9H,3-5H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide?
2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide has a molecular weight of 216.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-fluoro-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 22090837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).