2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide

C9H5Cl2F3N2O2 — CID 5339684

IUPAC2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESNC(=O)c1cc(NC(=O)C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H5Cl2F3N2O2/c10-4-2-5(11)6(1-3(4)7(15)17)16-8(18)9(12,13)14/h1-2H,(H2,15,17)(H,16,18)
InChIKeyKIDAVDOLCTWNSE-UHFFFAOYSA-N
MW301.05 g/mol
LogP2.59
Rot. Bonds2

About 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide

2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 5339684) has the molecular formula C9H5Cl2F3N2O2 and a molecular weight of 301.05 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID5339684
Molecular FormulaC9H5Cl2F3N2O2
Molecular Weight301.05 g/mol
Exact Mass299.97
IUPAC Name2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESNC(=O)c1cc(NC(=O)C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H5Cl2F3N2O2/c10-4-2-5(11)6(1-3(4)7(15)17)16-8(18)9(12,13)14/h1-2H,(H2,15,17)(H,16,18)
InChIKeyKIDAVDOLCTWNSE-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.05
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 5339684) is 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide is NC(=O)c1cc(NC(=O)C(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is KIDAVDOLCTWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N2O2/c10-4-2-5(11)6(1-3(4)7(15)17)16-8(18)9(12,13)14/h1-2H,(H2,15,17)(H,16,18).
What are the key properties of 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide?
2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 301.05 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 5339684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).