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

C19H12ClF4N3O2S — CID 23630162

IUPAC2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)ccc2Cl)s1
InChIInChI=1S/C19H12ClF4N3O2S/c1-9-25-8-16(30-9)27-18(29)14-7-13(2-3-15(14)20)26-17(28)10-4-11(19(22,23)24)6-12(21)5-10/h2-8H,1H3,(H,26,28)(H,27,29)
InChIKeyMWDGNIXIAGIQJY-UHFFFAOYSA-N
MW457.84 g/mol
LogP5.77
Rot. Bonds4

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

2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23630162) has the molecular formula C19H12ClF4N3O2S and a molecular weight of 457.84 g/mol. Its IUPAC name is 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23630162
Molecular FormulaC19H12ClF4N3O2S
Molecular Weight457.84 g/mol
Exact Mass457.03
IUPAC Name2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)ccc2Cl)s1
InChIInChI=1S/C19H12ClF4N3O2S/c1-9-25-8-16(30-9)27-18(29)14-7-13(2-3-15(14)20)26-17(28)10-4-11(19(22,23)24)6-12(21)5-10/h2-8H,1H3,(H,26,28)(H,27,29)
InChIKeyMWDGNIXIAGIQJY-UHFFFAOYSA-N
XLogP5.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 55.77
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-N-(2-methyl-thiazol-5-yl)-5-(3-trifluoromethyl-benzoylamino)-benzamide
CID 23630127
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-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23630162) is 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is MWDGNIXIAGIQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4N3O2S/c1-9-25-8-16(30-9)27-18(29)14-7-13(2-3-15(14)20)26-17(28)10-4-11(19(22,23)24)6-12(21)5-10/h2-8H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 457.84 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).