N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide

C17H24FNO — CID 81480761

IUPACN-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCCC1CCC(CNC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C17H24FNO/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-6-4-5-12(2)16(15)18/h4-6,13-14H,3,7-11H2,1-2H3,(H,19,20)
InChIKeyCNSPQJXSJJNBFQ-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.08
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide

N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 81480761) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID81480761
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCCC1CCC(CNC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C17H24FNO/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-6-4-5-12(2)16(15)18/h4-6,13-14H,3,7-11H2,1-2H3,(H,19,20)
InChIKeyCNSPQJXSJJNBFQ-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-[(4-aminocyclohexyl)methyl]-2-hydroxy-3-methylbenzamide
CID 106124188
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylbenzamide
CID 62241479
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
2-fluoro-3-methyl-N-(thian-2-ylmethyl)benzamide
CID 81482286
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
N-[(1,1-dioxothiolan-2-yl)methyl]-2-fluoro-3-methylbenzamide
CID 81344083
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide (CID 81480761) is N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide is CCC1CCC(CNC(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is CNSPQJXSJJNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-13-7-9-14(10-8-13)11-19-17(20)15-6-4-5-12(2)16(15)18/h4-6,13-14H,3,7-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide?
N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide has a molecular weight of 277.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81480761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).