3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide

C16H23FN2O — CID 63994254

IUPAC3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCC(C)CC2C)cc1F
InChIInChI=1S/C16H23FN2O/c1-9-4-5-15(10(2)6-9)19-16(20)12-7-13(17)11(3)14(18)8-12/h7-10,15H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyJMIPPATVGKOSRA-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.27
Rot. Bonds2

About 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide

3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide (PubChem CID 63994254) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
PubChem CID63994254
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
SMILESCc1c(N)cc(C(=O)NC2CCC(C)CC2C)cc1F
InChIInChI=1S/C16H23FN2O/c1-9-4-5-15(10(2)6-9)19-16(20)12-7-13(17)11(3)14(18)8-12/h7-10,15H,4-6,18H2,1-3H3,(H,19,20)
InChIKeyJMIPPATVGKOSRA-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
4-bromo-N-(2,4-dimethylcyclohexyl)-3-fluorobenzamide
CID 63997773
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
2-amino-5-[(2,4-dimethylcyclohexyl)amino]-4-fluorobenzamide
CID 63998408
N-(2,4-dimethylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998982

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide (CID 63994254) is 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide is Cc1c(N)cc(C(=O)NC2CCC(C)CC2C)cc1F.
What is the InChIKey of 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide?
The InChIKey is JMIPPATVGKOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-9-4-5-15(10(2)6-9)19-16(20)12-7-13(17)11(3)14(18)8-12/h7-10,15H,4-6,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 63994254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).