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

C17H11Cl3N2OS — CID 988262

IUPAC4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2OS/c18-12-6-4-10(5-7-12)16(23)22-17-21-9-13(24-17)8-11-2-1-3-14(19)15(11)20/h1-7,9H,8H2,(H,21,22,23)
InChIKeyHCIDDLBWQRQQRZ-UHFFFAOYSA-N
MW397.71 g/mol
LogP5.95
Rot. Bonds4

About 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 988262) has the molecular formula C17H11Cl3N2OS and a molecular weight of 397.71 g/mol. Its IUPAC name is 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID988262
Molecular FormulaC17H11Cl3N2OS
Molecular Weight397.71 g/mol
Exact Mass395.97
IUPAC Name4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl3N2OS/c18-12-6-4-10(5-7-12)16(23)22-17-21-9-13(24-17)8-11-2-1-3-14(19)15(11)20/h1-7,9H,8H2,(H,21,22,23)
InChIKeyHCIDDLBWQRQQRZ-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide (CID 988262) is 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HCIDDLBWQRQQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS/c18-12-6-4-10(5-7-12)16(23)22-17-21-9-13(24-17)8-11-2-1-3-14(19)15(11)20/h1-7,9H,8H2,(H,21,22,23).
What are the key properties of 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 397.71 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 988262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).