N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C16H9ClF6N2O2 — CID 3902078

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H9ClF6N2O2/c17-11-6-3-9(15(18,19)20)7-12(11)25-13(26)8-1-4-10(5-2-8)24-14(27)16(21,22)23/h1-7H,(H,24,27)(H,25,26)
InChIKeyIOZIZOCLUGNJKD-UHFFFAOYSA-N
MW410.70 g/mol
LogP5.11
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 3902078) has the molecular formula C16H9ClF6N2O2 and a molecular weight of 410.70 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID3902078
Molecular FormulaC16H9ClF6N2O2
Molecular Weight410.70 g/mol
Exact Mass410.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H9ClF6N2O2/c17-11-6-3-9(15(18,19)20)7-12(11)25-13(26)8-1-4-10(5-2-8)24-14(27)16(21,22)23/h1-7H,(H,24,27)(H,25,26)
InChIKeyIOZIZOCLUGNJKD-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.70
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 3902078) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is IOZIZOCLUGNJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF6N2O2/c17-11-6-3-9(15(18,19)20)7-12(11)25-13(26)8-1-4-10(5-2-8)24-14(27)16(21,22)23/h1-7H,(H,24,27)(H,25,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 410.70 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 3902078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).