N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C16H22FNO2 — CID 104917885

IUPACN-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyNFOZWRJBULSQRQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.57
Rot. Bonds3

About N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 104917885) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID104917885
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCCC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1
InChIInChI=1S/C16H22FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-6,11-12,19H,3,7-10H2,1-2H3
InChIKeyNFOZWRJBULSQRQ-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide 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

N-[4-(ethylamino)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107012641
N-(cyclopropylmethyl)-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 104917550
N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648
2,6-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120460
N-[4-(ethylamino)cyclohexyl]-2,6-dihydroxy-N-methylbenzamide
CID 107687379
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253
N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
CID 107017040
N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015209
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 104917885) is N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CCC1CCC(N(C)C(=O)c2c(O)cccc2F)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is NFOZWRJBULSQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-11-7-9-12(10-8-11)18(2)16(20)15-13(17)5-4-6-14(15)19/h4-6,11-12,19H,3,7-10H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 279.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 104917885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).