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

C16H22FNO — CID 112702388

IUPACN-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H22FNO/c1-3-12-4-7-14(8-5-12)18-16(19)15-9-6-13(17)10-11(15)2/h6,9-10,12,14H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyKVELMWNRAZXWDG-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.83
Rot. Bonds3

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

N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide (PubChem CID 112702388) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
PubChem CID112702388
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
SMILESCCC1CCC(NC(=O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C16H22FNO/c1-3-12-4-7-14(8-5-12)18-16(19)15-9-6-13(17)10-11(15)2/h6,9-10,12,14H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyKVELMWNRAZXWDG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
N-(4-ethylcyclohexyl)-2-hydrazinyl-5-methylbenzamide
CID 62511302
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
2-(2,4-difluorophenyl)-N-(4-ethylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 20970512
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide (CID 112702388) is N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide is CCC1CCC(NC(=O)c2ccc(F)cc2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide?
The InChIKey is KVELMWNRAZXWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-12-4-7-14(8-5-12)18-16(19)15-9-6-13(17)10-11(15)2/h6,9-10,12,14H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide?
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide has a molecular weight of 263.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 112702388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).