N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide

C23H19F3N2O3 — CID 51049781

IUPACN-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-9-4-3-8-19(20)28-22(30)16-6-5-7-18(14-16)27-21(29)15-10-12-17(13-11-15)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyLXMAXNSDXZVTOJ-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.61
Rot. Bonds6

About N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide

N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 51049781) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID51049781
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H19F3N2O3/c1-2-31-20-9-4-3-8-19(20)28-22(30)16-6-5-7-18(14-16)27-21(29)15-10-12-17(13-11-15)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
InChIKeyLXMAXNSDXZVTOJ-UHFFFAOYSA-N
XLogP5.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
N-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112998798
5-bromo-N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55771323
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844474
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
3-ethoxy-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639289

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide (CID 51049781) is N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide is CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is LXMAXNSDXZVTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-2-31-20-9-4-3-8-19(20)28-22(30)16-6-5-7-18(14-16)27-21(29)15-10-12-17(13-11-15)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide?
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 428.41 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 51049781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).