2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide

C15H19F3N4O2 — CID 91677312

IUPAC2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(N)=O)CC1
InChIInChI=1S/C15H19F3N4O2/c1-2-21-5-7-22(8-6-21)12-4-3-10(9-11(12)13(19)23)20-14(24)15(16,17)18/h3-4,9H,2,5-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyLGAWSRHFOFXTTF-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.43
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide

2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 91677312) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID91677312
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(N)=O)CC1
InChIInChI=1S/C15H19F3N4O2/c1-2-21-5-7-22(8-6-21)12-4-3-10(9-11(12)13(19)23)20-14(24)15(16,17)18/h3-4,9H,2,5-8H2,1H3,(H2,19,23)(H,20,24)
InChIKeyLGAWSRHFOFXTTF-UHFFFAOYSA-N
XLogP1.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide
CID 91677313
methyl 2-pyrrolidin-1-yl-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677060
5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146061009
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2,2,2-trifluoroacetamide
CID 17334956
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
2,2,2-trifluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)acetamide
CID 62729167
2-[[2-carbamoyl-4-[(2,2,2-trifluoroacetyl)amino]phenyl]disulfanyl]-5-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 6483554
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 46830361
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
5-chloro-6-ethyl-3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 88572016
ethyl 2-(4-ethylpiperazin-1-yl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677183
5-[(3-methylbenzoyl)amino]-2-(4-propylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146060722

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 91677312) is 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide is CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2C(N)=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is LGAWSRHFOFXTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-2-21-5-7-22(8-6-21)12-4-3-10(9-11(12)13(19)23)20-14(24)15(16,17)18/h3-4,9H,2,5-8H2,1H3,(H2,19,23)(H,20,24).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 344.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 91677312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).