3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide

C18H15Cl2F3N2O3 — CID 90468953

IUPAC3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H15Cl2F3N2O3/c1-9-7-11(19)4-6-13(9)24-15(26)10-3-5-14(12(20)8-10)25-16(27)17(2,28)18(21,22)23/h3-8,28H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXXKVAQNSEOCDAU-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.81
Rot. Bonds4

About 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide

3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide (PubChem CID 90468953) has the molecular formula C18H15Cl2F3N2O3 and a molecular weight of 435.23 g/mol. Its IUPAC name is 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
PubChem CID90468953
Molecular FormulaC18H15Cl2F3N2O3
Molecular Weight435.23 g/mol
Exact Mass434.04
IUPAC Name3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C18H15Cl2F3N2O3/c1-9-7-11(19)4-6-13(9)24-15(26)10-3-5-14(12(20)8-10)25-16(27)17(2,28)18(21,22)23/h3-8,28H,1-2H3,(H,24,26)(H,25,27)
InChIKeyXXKVAQNSEOCDAU-UHFFFAOYSA-N
XLogP4.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide with MolForge

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Related Compounds

3-chloro-N-(3-chloro-4-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468794
3-chloro-N-(2-chloro-3-pyridinyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]benzamide
CID 142647933
3-chloro-N-[3-(difluoromethyl)phenyl]-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide
CID 90468729
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
4-[3-chloro-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]phenyl]sulfonyl-N-phenylbenzamide
CID 22287138
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
N-[2-chloro-4-(2-hydroxyethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 174444785

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The IUPAC name of 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide (CID 90468953) is 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide.
What is the SMILES notation for 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The canonical SMILES for 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
The InChIKey is XXKVAQNSEOCDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O3/c1-9-7-11(19)4-6-13(9)24-15(26)10-3-5-14(12(20)8-10)25-16(27)17(2,28)18(21,22)23/h3-8,28H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide?
3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide has a molecular weight of 435.23 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chloro-2-methylphenyl)-4-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzamide is sourced from PubChem (CID 90468953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).