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

C18H13Cl2N3O2S — CID 23630125

IUPAC2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1
InChIInChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyMHUNFCOBOKSURA-UHFFFAOYSA-N
MW406.29 g/mol
LogP5.26
Rot. Bonds4

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

2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 23630125) has the molecular formula C18H13Cl2N3O2S and a molecular weight of 406.29 g/mol. Its IUPAC name is 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID23630125
Molecular FormulaC18H13Cl2N3O2S
Molecular Weight406.29 g/mol
Exact Mass405.01
IUPAC Name2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1
InChIInChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyMHUNFCOBOKSURA-UHFFFAOYSA-N
XLogP5.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 23630125) is 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cc(NC(=O)c3cccc(Cl)c3)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is MHUNFCOBOKSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S/c1-10-21-9-16(26-10)23-18(25)14-8-13(5-6-15(14)20)22-17(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
2-chloro-5-[(3-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 406.29 g/mol, XLogP of 5.26, 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-chlorobenzoyl)amino]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 23630125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).