2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C19H13ClF3N3O2S — CID 23630127

IUPAC2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)s1
InChIInChI=1S/C19H13ClF3N3O2S/c1-10-24-9-16(29-10)26-18(28)14-8-13(5-6-15(14)20)25-17(27)11-3-2-4-12(7-11)19(21,22)23/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKeyIKCLEONCNGHCMG-UHFFFAOYSA-N
MW439.85 g/mol
LogP5.63
Rot. Bonds4

About 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 23630127) has the molecular formula C19H13ClF3N3O2S and a molecular weight of 439.85 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID23630127
Molecular FormulaC19H13ClF3N3O2S
Molecular Weight439.85 g/mol
Exact Mass439.04
IUPAC Name2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)s1
InChIInChI=1S/C19H13ClF3N3O2S/c1-10-24-9-16(29-10)26-18(28)14-8-13(5-6-15(14)20)25-17(27)11-3-2-4-12(7-11)19(21,22)23/h2-9H,1H3,(H,25,27)(H,26,28)
InChIKeyIKCLEONCNGHCMG-UHFFFAOYSA-N
XLogP5.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23629682
2-Chloro-N-thiazol-5-yl-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630085
2-Chloro-5-[(3-chlorobenzoyl)amino]-n-1,3-thiazol-5-ylbenzamide
CID 23630121
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-1,3-thiazol-5-ylbenzamide
CID 23630122
2-Methyl-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630124
2-Chloro-5-(3-chloro-benzoylamino)-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630125
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630126
2-chloro-5-{[3-fluoro-5-(trifluoromethyl)benzoyl]amino}-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23630162
5-(3-Chloro-benzoylamino)-2-methyl-N-(2-methyl-thiazol-5-yl)-benzamide
CID 23630167
2-Chloro-N-(2-cyclopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562061
2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 44562058
2-Chloro-N-(2-isopropyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 44562059

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 23630127) is 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is IKCLEONCNGHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2S/c1-10-24-9-16(29-10)26-18(28)14-8-13(5-6-15(14)20)25-17(27)11-3-2-4-12(7-11)19(21,22)23/h2-9H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 439.85 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 23630127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).