4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C17H25FN2O — CID 102629308

IUPAC4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1cccc(F)c1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H25FN2O/c1-10-6-5-7-13(18)15(10)20-16(21)12-8-9-14(19)11(2)17(12,3)4/h5-7,11-12,14H,8-9,19H2,1-4H3,(H,20,21)
InChIKeyAIWBWYZPYBVLHW-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.47
Rot. Bonds2

About 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629308) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629308
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCc1cccc(F)c1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H25FN2O/c1-10-6-5-7-13(18)15(10)20-16(21)12-8-9-14(19)11(2)17(12,3)4/h5-7,11-12,14H,8-9,19H2,1-4H3,(H,20,21)
InChIKeyAIWBWYZPYBVLHW-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 107599805
4-amino-N-(4-hydroxy-2-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628908
4-amino-2,2,3-trimethyl-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 102628272
4-amino-N-(3-ethylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628262
4-amino-N-(2-bromo-5-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629152
4-amino-2,2,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 102628763
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
2-amino-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 82235722
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
4-amino-2,2,3-trimethyl-N-(2-methyltetrazol-5-yl)cyclohexane-1-carboxamide
CID 102629106
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629308) is 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is Cc1cccc(F)c1NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is AIWBWYZPYBVLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-10-6-5-7-13(18)15(10)20-16(21)12-8-9-14(19)11(2)17(12,3)4/h5-7,11-12,14H,8-9,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluoro-6-methylphenyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).