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

C19H15ClFN3O2S — CID 23630165

IUPAC5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2C)s1
InChIInChI=1S/C19H15ClFN3O2S/c1-10-3-4-15(23-18(25)12-5-13(20)7-14(21)6-12)8-16(10)19(26)24-17-9-22-11(2)27-17/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyVLNPELSOLMVSFG-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.06
Rot. Bonds4

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

5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23630165) has the molecular formula C19H15ClFN3O2S and a molecular weight of 403.87 g/mol. Its IUPAC name is 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23630165
Molecular FormulaC19H15ClFN3O2S
Molecular Weight403.87 g/mol
Exact Mass403.06
IUPAC Name5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2C)s1
InChIInChI=1S/C19H15ClFN3O2S/c1-10-3-4-15(23-18(25)12-5-13(20)7-14(21)6-12)8-16(10)19(26)24-17-9-22-11(2)27-17/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyVLNPELSOLMVSFG-UHFFFAOYSA-N
XLogP5.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.06
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
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23630165) is 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2C)s1.
What is the InChIKey of 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is VLNPELSOLMVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2S/c1-10-3-4-15(23-18(25)12-5-13(20)7-14(21)6-12)8-16(10)19(26)24-17-9-22-11(2)27-17/h3-9H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-5-fluorobenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).