N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C20H13Cl2F3N4O2 — CID 11626920

IUPACN-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESNc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl
InChIInChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
InChIKeyCJXUHPRULWSPBE-UHFFFAOYSA-N
MW469.25 g/mol
LogP5.49
Rot. Bonds4

About N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 11626920) has the molecular formula C20H13Cl2F3N4O2 and a molecular weight of 469.25 g/mol. Its IUPAC name is N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID11626920
Molecular FormulaC20H13Cl2F3N4O2
Molecular Weight469.25 g/mol
Exact Mass468.04
IUPAC NameN-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESNc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl
InChIInChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31)
InChIKeyCJXUHPRULWSPBE-UHFFFAOYSA-N
XLogP5.49
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.25
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 11626920) is N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl.
What is the InChIKey of N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is CJXUHPRULWSPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N4O2/c21-15-5-4-12(28-18(30)10-2-1-3-11(6-10)20(23,24)25)7-14(15)19(31)29-13-8-16(22)17(26)27-9-13/h1-9H,(H2,26,27)(H,28,30)(H,29,31).
What are the key properties of N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 469.25 g/mol, XLogP of 5.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-chloro-3-pyridinyl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 11626920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).