N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

C23H16F3N3O — CID 175308752

IUPACN-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)15-10-11-17-20(12-13-27-21(17)14-15)29-19-9-5-4-8-18(19)22(30)28-16-6-2-1-3-7-16/h1-14H,(H,27,29)(H,28,30)
InChIKeyHTTSCCIPTJYIJN-UHFFFAOYSA-N
MW407.40 g/mol
LogP6.25
Rot. Bonds4

About N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (PubChem CID 175308752) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
PubChem CID175308752
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC NameN-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)15-10-11-17-20(12-13-27-21(17)14-15)29-19-9-5-4-8-18(19)22(30)28-16-6-2-1-3-7-16/h1-14H,(H,27,29)(H,28,30)
InChIKeyHTTSCCIPTJYIJN-UHFFFAOYSA-N
XLogP6.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The IUPAC name of N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (CID 175308752) is N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.
What is the SMILES notation for N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The canonical SMILES for N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is O=C(Nc1ccccc1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The InChIKey is HTTSCCIPTJYIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)15-10-11-17-20(12-13-27-21(17)14-15)29-19-9-5-4-8-18(19)22(30)28-16-6-2-1-3-7-16/h1-14H,(H,27,29)(H,28,30).
What are the key properties of N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide has a molecular weight of 407.40 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 175308752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).