2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide

C15H19F3N2O2 — CID 112999463

IUPAC2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-3-10(4-2)14(22)19-9-13(21)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBPNOPUJZYBPCFP-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.20
Rot. Bonds6

About 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide

2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide (PubChem CID 112999463) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
PubChem CID112999463
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-3-10(4-2)14(22)19-9-13(21)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyBPNOPUJZYBPCFP-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-ethylbutanamide
CID 110407235
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
2-(propylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 60648393
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
4-butoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 4288928
2-(butylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108993089

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide (CID 112999463) is 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide is CCC(CC)C(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide?
The InChIKey is BPNOPUJZYBPCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-10(4-2)14(22)19-9-13(21)20-12-7-5-11(6-8-12)15(16,17)18/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide?
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide has a molecular weight of 316.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide is sourced from PubChem (CID 112999463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).