N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide

C16H23FN2O — CID 62662231

IUPACN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-15-13(8-5-9-14(15)17)16(20)19-11-10-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRJQPVOCSFMKLMK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.57
Rot. Bonds5

About N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide

N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 62662231) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID62662231
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-18-15-13(8-5-9-14(15)17)16(20)19-11-10-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20)
InChIKeyRJQPVOCSFMKLMK-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
3-fluoro-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzamide
CID 113464159
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
CID 115540134

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide (CID 62662231) is N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is RJQPVOCSFMKLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-18-15-13(8-5-9-14(15)17)16(20)19-11-10-12-6-3-2-4-7-12/h5,8-9,12,18H,2-4,6-7,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide?
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62662231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).