5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide

C16H23FN2O2 — CID 103296492

IUPAC5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCOC2CCCCC2)c1F
InChIInChI=1S/C16H23FN2O2/c1-11-9-12(18)10-14(15(11)17)16(20)19-7-8-21-13-5-3-2-4-6-13/h9-10,13H,2-8,18H2,1H3,(H,19,20)
InChIKeyXTOYWXJLEXGJCE-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide

5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide (PubChem CID 103296492) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
PubChem CID103296492
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NCCOC2CCCCC2)c1F
InChIInChI=1S/C16H23FN2O2/c1-11-9-12(18)10-14(15(11)17)16(20)19-7-8-21-13-5-3-2-4-6-13/h9-10,13H,2-8,18H2,1H3,(H,19,20)
InChIKeyXTOYWXJLEXGJCE-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-cyclopentyloxyethyl)-2-fluoro-3-methylbenzamide
CID 103296491
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
5-amino-2-fluoro-3-methyl-N-pentylbenzamide
CID 103295782
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
5-amino-N-but-3-enyl-2-fluoro-3-methylbenzamide
CID 103296822
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
5-amino-2-bromo-N-(3-cyclohexyloxypropyl)benzamide
CID 115297279

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide (CID 103296492) is 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)NCCOC2CCCCC2)c1F.
What is the InChIKey of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide?
The InChIKey is XTOYWXJLEXGJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-9-12(18)10-14(15(11)17)16(20)19-7-8-21-13-5-3-2-4-6-13/h9-10,13H,2-8,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclohexyloxyethyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).