N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide

C16H23FN2O — CID 62650072

IUPACN-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
SMILESCCN(C(=O)c1cccc(F)c1NC)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-3-19(12-8-5-4-6-9-12)16(20)13-10-7-11-14(17)15(13)18-2/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyGJBBKOBKHLYEAS-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.66
Rot. Bonds4

About N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide

N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide (PubChem CID 62650072) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
PubChem CID62650072
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide
SMILESCCN(C(=O)c1cccc(F)c1NC)C1CCCCC1
InChIInChI=1S/C16H23FN2O/c1-3-19(12-8-5-4-6-9-12)16(20)13-10-7-11-14(17)15(13)18-2/h7,10-12,18H,3-6,8-9H2,1-2H3
InChIKeyGJBBKOBKHLYEAS-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62650074
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-cycloheptyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62661525
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850
N-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide (CID 62650072) is N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide is CCN(C(=O)c1cccc(F)c1NC)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide?
The InChIKey is GJBBKOBKHLYEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-19(12-8-5-4-6-9-12)16(20)13-10-7-11-14(17)15(13)18-2/h7,10-12,18H,3-6,8-9H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide?
N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 62650072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).