2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C21H15ClF3N3O2S — CID 44562061

IUPAC2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(C3CC3)s2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15ClF3N3O2S/c22-16-7-6-14(27-18(29)12-2-1-3-13(8-12)21(23,24)25)9-15(16)19(30)28-17-10-26-20(31-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,27,29)(H,28,30)
InChIKeySDKYEKHDYRDABP-UHFFFAOYSA-N
MW465.88 g/mol
LogP6.20
Rot. Bonds5

About 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 44562061) has the molecular formula C21H15ClF3N3O2S and a molecular weight of 465.88 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID44562061
Molecular FormulaC21H15ClF3N3O2S
Molecular Weight465.88 g/mol
Exact Mass465.05
IUPAC Name2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESO=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(C3CC3)s2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15ClF3N3O2S/c22-16-7-6-14(27-18(29)12-2-1-3-13(8-12)21(23,24)25)9-15(16)19(30)28-17-10-26-20(31-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,27,29)(H,28,30)
InChIKeySDKYEKHDYRDABP-UHFFFAOYSA-N
XLogP6.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
2-chloro-N-(5-pyrrol-1-yl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845248
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
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2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]amino]benzamide
CID 54833308
N-[4-chloro-3-[2-[2-(4-hydroxyanilino)pyrimidin-5-yl]acetyl]phenyl]-3-(trifluoromethyl)benzamide
CID 123289085
N-[4-(cyclopropanecarbonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 25275995
2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 90937276
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-3-(trifluoromethyl)benzamide
CID 4669120
N-(2-aminopyrimidin-5-yl)-2-ethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 91120622
N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 44562061) is 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(C3CC3)s2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is SDKYEKHDYRDABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2S/c22-16-7-6-14(27-18(29)12-2-1-3-13(8-12)21(23,24)25)9-15(16)19(30)28-17-10-26-20(31-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,27,29)(H,28,30).
What are the key properties of 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 465.88 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 44562061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).