2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

C15H7ClF4N2OS — CID 121028941

IUPAC2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H7ClF4N2OS/c16-10-6-7(17)4-5-8(10)13(23)22-14-21-12-9(15(18,19)20)2-1-3-11(12)24-14/h1-6H,(H,21,22,23)
InChIKeyLNAYGLAPRVQXAK-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.36
Rot. Bonds2

About 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 121028941) has the molecular formula C15H7ClF4N2OS and a molecular weight of 374.75 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID121028941
Molecular FormulaC15H7ClF4N2OS
Molecular Weight374.75 g/mol
Exact Mass373.99
IUPAC Name2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc(F)cc1Cl
InChIInChI=1S/C15H7ClF4N2OS/c16-10-6-7(17)4-5-8(10)13(23)22-14-21-12-9(15(18,19)20)2-1-3-11(12)24-14/h1-6H,(H,21,22,23)
InChIKeyLNAYGLAPRVQXAK-UHFFFAOYSA-N
XLogP5.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-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

Related Compounds

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
2-chloro-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-fluorobenzamide
CID 43989658
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
CID 953858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (CID 121028941) is 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is O=C(Nc1nc2c(C(F)(F)F)cccc2s1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is LNAYGLAPRVQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF4N2OS/c16-10-6-7(17)4-5-8(10)13(23)22-14-21-12-9(15(18,19)20)2-1-3-11(12)24-14/h1-6H,(H,21,22,23).
What are the key properties of 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 374.75 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 121028941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).