(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide

C16H23FN2O2 — CID 7356542

IUPAC(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-5-8-12(4-2)16(21)18-11-15(20)19-14-10-7-6-9-13(14)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyKJULCWSCCFRZOL-LBPRGKRZSA-N
MW294.37 g/mol
LogP3.10
Rot. Bonds8

About (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide

(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide (PubChem CID 7356542) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
PubChem CID7356542
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide
SMILESCCCC[C@H](CC)C(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-3-5-8-12(4-2)16(21)18-11-15(20)19-14-10-7-6-9-13(14)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
InChIKeyKJULCWSCCFRZOL-LBPRGKRZSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
2-(2-ethylhexanoylamino)-6-fluorobenzoic acid
CID 43442827
2-[(2-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772197
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide?
The IUPAC name of (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide (CID 7356542) is (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide.
What is the SMILES notation for (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide?
The canonical SMILES for (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide is CCCC[C@H](CC)C(=O)NCC(=O)Nc1ccccc1F.
What is the InChIKey of (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide?
The InChIKey is KJULCWSCCFRZOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-5-8-12(4-2)16(21)18-11-15(20)19-14-10-7-6-9-13(14)17/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide?
(2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide has a molecular weight of 294.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[2-(2-fluoroanilino)-2-oxoethyl]hexanamide is sourced from PubChem (CID 7356542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).