2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide

C16H23FN2O — CID 79055143

IUPAC2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
SMILESCCC1CCCCC1(Nc1cc(C)cc(F)c1)C(N)=O
InChIInChI=1S/C16H23FN2O/c1-3-12-6-4-5-7-16(12,15(18)20)19-14-9-11(2)8-13(17)10-14/h8-10,12,19H,3-7H2,1-2H3,(H2,18,20)
InChIKeyCFKMQFHFIOQWQO-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.37
Rot. Bonds4

About 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide

2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide (PubChem CID 79055143) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
PubChem CID79055143
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
SMILESCCC1CCCCC1(Nc1cc(C)cc(F)c1)C(N)=O
InChIInChI=1S/C16H23FN2O/c1-3-12-6-4-5-7-16(12,15(18)20)19-14-9-11(2)8-13(17)10-14/h8-10,12,19H,3-7H2,1-2H3,(H2,18,20)
InChIKeyCFKMQFHFIOQWQO-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Propanamide, N-(3-methylphenyl)-3-phenyl-
CID 532827
N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(2,3-dimethylphenyl)-2-phenylcyclopropanecarboxamide
CID 2933462
N-(3,4-dimethylphenyl)cyclohexanecarboxamide
CID 854997
1-(Phenylamino)cyclohexane-1-carboxamide
CID 1264884
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 2468313
N-(2-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 4877960
2-(4-fluorophenyl)-N-(3-methylphenyl)acetamide
CID 1122590
N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 809036
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
CID 2494835
2-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2890716
N-(2-fluorophenyl)-2-phenylcyclopropanecarboxamide
CID 2932767

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide?
The IUPAC name of 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide (CID 79055143) is 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide?
The canonical SMILES for 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide is CCC1CCCCC1(Nc1cc(C)cc(F)c1)C(N)=O.
What is the InChIKey of 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide?
The InChIKey is CFKMQFHFIOQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-12-6-4-5-7-16(12,15(18)20)19-14-9-11(2)8-13(17)10-14/h8-10,12,19H,3-7H2,1-2H3,(H2,18,20).
What are the key properties of 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide?
2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79055143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).