2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H19F3N2O3 — CID 90012211

IUPAC2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-31-20-12-5-4-11-19(20)21(29)27-14-15-7-2-3-10-18(15)22(30)28-17-9-6-8-16(13-17)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyLQMHSGUTNHVAML-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.90
Rot. Bonds6

About 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 90012211) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID90012211
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H19F3N2O3/c1-31-20-12-5-4-11-19(20)21(29)27-14-15-7-2-3-10-18(15)22(30)28-17-9-6-8-16(13-17)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyLQMHSGUTNHVAML-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 175181598
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276156

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 90012211) is 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is COc1ccccc1C(=O)NCc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is LQMHSGUTNHVAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-31-20-12-5-4-11-19(20)21(29)27-14-15-7-2-3-10-18(15)22(30)28-17-9-6-8-16(13-17)23(24,25)26/h2-13H,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 428.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 90012211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).