N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide

C17H25FN2O — CID 62650074

IUPACN-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C17H25FN2O/c1-3-19-16-14(11-8-12-15(16)18)17(21)20(4-2)13-9-6-5-7-10-13/h8,11-13,19H,3-7,9-10H2,1-2H3
InChIKeyUCABOPNQHSCTEQ-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.05
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide

N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide (PubChem CID 62650074) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
PubChem CID62650074
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
SMILESCCNc1c(F)cccc1C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C17H25FN2O/c1-3-19-16-14(11-8-12-15(16)18)17(21)20(4-2)13-9-6-5-7-10-13/h8,11-13,19H,3-7,9-10H2,1-2H3
InChIKeyUCABOPNQHSCTEQ-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
CID 62650072
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide (CID 62650074) is N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide is CCNc1c(F)cccc1C(=O)N(CC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide?
The InChIKey is UCABOPNQHSCTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-19-16-14(11-8-12-15(16)18)17(21)20(4-2)13-9-6-5-7-10-13/h8,11-13,19H,3-7,9-10H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide?
N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide has a molecular weight of 292.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide is sourced from PubChem (CID 62650074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).