N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

C19H13ClF3N3O2 — CID 54613409

IUPACN-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H13ClF3N3O2/c20-12-3-6-16(27)15(9-12)26-18(28)11-1-4-13(5-2-11)25-14-7-8-24-17(10-14)19(21,22)23/h1-10,27H,(H,24,25)(H,26,28)
InChIKeyGXRCZOKUMMVJAQ-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.46
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide

N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (PubChem CID 54613409) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
PubChem CID54613409
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H13ClF3N3O2/c20-12-3-6-16(27)15(9-12)26-18(28)11-1-4-13(5-2-11)25-14-7-8-24-17(10-14)19(21,22)23/h1-10,27H,(H,24,25)(H,26,28)
InChIKeyGXRCZOKUMMVJAQ-UHFFFAOYSA-N
XLogP5.46
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide (CID 54613409) is N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
The InChIKey is GXRCZOKUMMVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-12-3-6-16(27)15(9-12)26-18(28)11-1-4-13(5-2-11)25-14-7-8-24-17(10-14)19(21,22)23/h1-10,27H,(H,24,25)(H,26,28).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide?
N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide has a molecular weight of 407.78 g/mol, XLogP of 5.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 54613409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).