N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide

C23H18ClFN2O2S — CID 11270635

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(N(C(=O)c2ccc(F)cc2Cl)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H18ClFN2O2S/c1-14(2)29-17-10-8-16(9-11-17)27(22(28)18-12-7-15(25)13-19(18)24)23-26-20-5-3-4-6-21(20)30-23/h3-14H,1-2H3
InChIKeyWAJXPFBYOMEWMF-UHFFFAOYSA-N
MW440.93 g/mol
LogP6.85
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide

N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide (PubChem CID 11270635) has the molecular formula C23H18ClFN2O2S and a molecular weight of 440.93 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
PubChem CID11270635
Molecular FormulaC23H18ClFN2O2S
Molecular Weight440.93 g/mol
Exact Mass440.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1ccc(N(C(=O)c2ccc(F)cc2Cl)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H18ClFN2O2S/c1-14(2)29-17-10-8-16(9-11-17)27(22(28)18-12-7-15(25)13-19(18)24)23-26-20-5-3-4-6-21(20)30-23/h3-14H,1-2H3
InChIKeyWAJXPFBYOMEWMF-UHFFFAOYSA-N
XLogP6.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
3-(6-Ethoxybenzo[d]thiazol-2-yl)-2-(2-chloro-6-fluorophenyl)thiazolidin-4-one (18)
CID 71521937
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
4-benzoyl-N-(6-methoxybenzo[d]thiazol-2-yl)benzamide
CID 1548163
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 1548284
N-(6-methoxybenzothiazole-2-yl)-2-(3-chlorophenyl)acetamide
CID 77106871
N-(6-trifluoromethoxybenzothiazole-2-yl)-2-(3-chlorophenyl)acetamide
CID 77106872
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(phenylamino)benzamide
CID 117940825
4-benzoyl-N-(6-propoxybenzo[d]thiazol-2-yl)benzamide
CID 117940920
4-benzoyl-N-(6-(prop-2-yn-1-yloxy)benzo[d]thiazol-2-yl)benzamide
CID 117940975

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide (CID 11270635) is N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide is CC(C)Oc1ccc(N(C(=O)c2ccc(F)cc2Cl)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
The InChIKey is WAJXPFBYOMEWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O2S/c1-14(2)29-17-10-8-16(9-11-17)27(22(28)18-12-7-15(25)13-19(18)24)23-26-20-5-3-4-6-21(20)30-23/h3-14H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide has a molecular weight of 440.93 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 11270635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).