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

C18H12Cl2FN3O2S — CID 44562058

IUPAC2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2Cl)s1
InChIInChI=1S/C18H12Cl2FN3O2S/c1-9-22-8-16(27-9)24-18(26)14-7-13(2-3-15(14)20)23-17(25)10-4-11(19)6-12(21)5-10/h2-8H,1H3,(H,23,25)(H,24,26)
InChIKeyKUHJNLPHCHGERT-UHFFFAOYSA-N
MW424.28 g/mol
LogP5.40
Rot. Bonds4

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

2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 44562058) has the molecular formula C18H12Cl2FN3O2S and a molecular weight of 424.28 g/mol. Its IUPAC name is 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID44562058
Molecular FormulaC18H12Cl2FN3O2S
Molecular Weight424.28 g/mol
Exact Mass423.00
IUPAC Name2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2Cl)s1
InChIInChI=1S/C18H12Cl2FN3O2S/c1-9-22-8-16(27-9)24-18(26)14-7-13(2-3-15(14)20)23-17(25)10-4-11(19)6-12(21)5-10/h2-8H,1H3,(H,23,25)(H,24,26)
InChIKeyKUHJNLPHCHGERT-UHFFFAOYSA-N
XLogP5.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.28
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 44562058) is 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(Cl)c3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is KUHJNLPHCHGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O2S/c1-9-22-8-16(27-9)24-18(26)14-7-13(2-3-15(14)20)23-17(25)10-4-11(19)6-12(21)5-10/h2-8H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
2-chloro-5-[(3-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 424.28 g/mol, XLogP of 5.40, 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-chloro-5-fluorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 44562058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).