N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide

C16H23FN2O2 — CID 107012641

IUPACN-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-11-7-9-12(10-8-11)19(2)16(21)15-13(17)5-4-6-14(15)20/h4-6,11-12,18,20H,3,7-10H2,1-2H3
InChIKeyMZEHMXDDXOLIBS-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide

N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107012641) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107012641
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCNC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-3-18-11-7-9-12(10-8-11)19(2)16(21)15-13(17)5-4-6-14(15)20/h4-6,11-12,18,20H,3,7-10H2,1-2H3
InChIKeyMZEHMXDDXOLIBS-UHFFFAOYSA-N
XLogP2.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
CID 107687379
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917885
N-[4-(ethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 79116508
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
(2,6-difluorophenyl)-[4-(ethylamino)piperidin-1-yl]methanone
CID 54923672
N-[4-(ethylamino)cyclohexyl]-N,3,5-trimethylbenzamide
CID 79119344
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-[4-(ethylamino)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103115670
1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107012641) is N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide is CCNC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is MZEHMXDDXOLIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-18-11-7-9-12(10-8-11)19(2)16(21)15-13(17)5-4-6-14(15)20/h4-6,11-12,18,20H,3,7-10H2,1-2H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide?
N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107012641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).