N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide

C16H23FN2O — CID 81481989

IUPACN-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
SMILESCCNC1CCC(NC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-12-7-9-13(10-8-12)19-16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13,18H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyOJNIMJMUZDYBBG-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.78
Rot. Bonds4

About N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide

N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide (PubChem CID 81481989) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
PubChem CID81481989
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
SMILESCCNC1CCC(NC(=O)c2cccc(C)c2F)CC1
InChIInChI=1S/C16H23FN2O/c1-3-18-12-7-9-13(10-8-12)19-16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13,18H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyOJNIMJMUZDYBBG-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2-chloro-N-[4-(ethylamino)cyclohexyl]benzamide
CID 43653317
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide (CID 81481989) is N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide is CCNC1CCC(NC(=O)c2cccc(C)c2F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide?
The InChIKey is OJNIMJMUZDYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-18-12-7-9-13(10-8-12)19-16(20)14-6-4-5-11(2)15(14)17/h4-6,12-13,18H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide?
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide has a molecular weight of 278.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 81481989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).