5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide

C15H21FN2O2 — CID 103296931

IUPAC5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)C2CCCCC2O)c1F
InChIInChI=1S/C15H21FN2O2/c1-9-7-10(17)8-11(14(9)16)15(20)18(2)12-5-3-4-6-13(12)19/h7-8,12-13,19H,3-6,17H2,1-2H3
InChIKeyCJZZNWLMXCGBQM-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.09
Rot. Bonds2

About 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide

5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide (PubChem CID 103296931) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
PubChem CID103296931
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)C2CCCCC2O)c1F
InChIInChI=1S/C15H21FN2O2/c1-9-7-10(17)8-11(14(9)16)15(20)18(2)12-5-3-4-6-13(12)19/h7-8,12-13,19H,3-6,17H2,1-2H3
InChIKeyCJZZNWLMXCGBQM-UHFFFAOYSA-N
XLogP2.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 103296058
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
5-amino-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N,3-dimethylbenzamide
CID 103295992
2,6-difluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 102634808
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
2-hydrazinyl-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102636877
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide (CID 103296931) is 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)C2CCCCC2O)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
The InChIKey is CJZZNWLMXCGBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-9-7-10(17)8-11(14(9)16)15(20)18(2)12-5-3-4-6-13(12)19/h7-8,12-13,19H,3-6,17H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 103296931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).