2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide

C15H21F3N4O2 — CID 139713734

IUPAC2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1c(C(=O)NC(F)(F)F)cccc1N(C)CCN(C)C
InChIInChI=1S/C15H21F3N4O2/c1-10(23)19-13-11(14(24)20-15(16,17)18)6-5-7-12(13)22(4)9-8-21(2)3/h5-7H,8-9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyFNONSYHCYNAAJY-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.89
Rot. Bonds6

About 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide

2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide (PubChem CID 139713734) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
PubChem CID139713734
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1c(C(=O)NC(F)(F)F)cccc1N(C)CCN(C)C
InChIInChI=1S/C15H21F3N4O2/c1-10(23)19-13-11(14(24)20-15(16,17)18)6-5-7-12(13)22(4)9-8-21(2)3/h5-7H,8-9H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyFNONSYHCYNAAJY-UHFFFAOYSA-N
XLogP1.89
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 127053005
3-{2-[(propan-2-yl)amino]acetamido}-N-[3-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The IUPAC name of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide (CID 139713734) is 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The canonical SMILES for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide is CC(=O)Nc1c(C(=O)NC(F)(F)F)cccc1N(C)CCN(C)C.
What is the InChIKey of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
The InChIKey is FNONSYHCYNAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10(23)19-13-11(14(24)20-15(16,17)18)6-5-7-12(13)22(4)9-8-21(2)3/h5-7H,8-9H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide?
2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide has a molecular weight of 346.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[2-(dimethylamino)ethyl-methylamino]-N-(trifluoromethyl)benzamide is sourced from PubChem (CID 139713734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).