2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H21F3N2O3 — CID 56593331

IUPAC2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O3/c1-15(2)32-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-17-9-7-8-16(14-17)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeyGBOROWPKNUMZDL-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.00
Rot. Bonds6

About 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 56593331) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID56593331
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H21F3N2O3/c1-15(2)32-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-17-9-7-8-16(14-17)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31)
InChIKeyGBOROWPKNUMZDL-UHFFFAOYSA-N
XLogP6.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ML290
CID 56593349
Salverine
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2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
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5-amino-2-ethoxy-N-(3-trifluoromethylphenyl)benzamide
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CID 650638
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
CID 53301913
3,4-Difluoro-2-(2-fluoro-4-iodoanilino)-6-[2-methyl-3-(sulfamoylamino)phenoxy]benzamide
CID 127039308
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2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 56593331) is 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GBOROWPKNUMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-15(2)32-21-13-6-4-11-19(21)23(31)29-20-12-5-3-10-18(20)22(30)28-17-9-7-8-16(14-17)24(25,26)27/h3-15H,1-2H3,(H,28,30)(H,29,31).
What are the key properties of 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 442.44 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 56593331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).