5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide

C14H20FNO — CID 142265407

IUPAC5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide
SMILESCC1=C(F)C=CC=C(C(=O)N(C)CC(C)C)C1
InChIInChI=1S/C14H20FNO/c1-10(2)9-16(4)14(17)12-6-5-7-13(15)11(3)8-12/h5-7,10H,8-9H2,1-4H3
InChIKeyTUIAANABMJYBOB-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.23
Rot. Bonds3

About 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide

5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 142265407) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide
PubChem CID142265407
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide
SMILESCC1=C(F)C=CC=C(C(=O)N(C)CC(C)C)C1
InChIInChI=1S/C14H20FNO/c1-10(2)9-16(4)14(17)12-6-5-7-13(15)11(3)8-12/h5-7,10H,8-9H2,1-4H3
InChIKeyTUIAANABMJYBOB-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide (CID 142265407) is 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide is CC1=C(F)C=CC=C(C(=O)N(C)CC(C)C)C1.
What is the InChIKey of 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is TUIAANABMJYBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)9-16(4)14(17)12-6-5-7-13(15)11(3)8-12/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide?
5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 237.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 142265407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).