N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide

C25H23F3N2O3 — CID 55502593

IUPACN-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23F3N2O3/c26-25(27,28)17-33-16-19-13-11-18(12-14-19)15-29-24(32)22(20-7-3-1-4-8-20)30-23(31)21-9-5-2-6-10-21/h1-14,22H,15-17H2,(H,29,32)(H,30,31)
InChIKeyRBCVFHSUPYNMTN-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.55
Rot. Bonds9

About N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide

N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 55502593) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID55502593
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC NameN-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23F3N2O3/c26-25(27,28)17-33-16-19-13-11-18(12-14-19)15-29-24(32)22(20-7-3-1-4-8-20)30-23(31)21-9-5-2-6-10-21/h1-14,22H,15-17H2,(H,29,32)(H,30,31)
InChIKeyRBCVFHSUPYNMTN-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60553571
3-amino-2-methyl-3-phenyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propanamide
CID 119699216
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 30095392
3-methyl-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 46699905
N-[phenyl(pyridin-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46550378
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874
2-chloro-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 24598999
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide (CID 55502593) is N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide is O=C(NC(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is RBCVFHSUPYNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c26-25(27,28)17-33-16-19-13-11-18(12-14-19)15-29-24(32)22(20-7-3-1-4-8-20)30-23(31)21-9-5-2-6-10-21/h1-14,22H,15-17H2,(H,29,32)(H,30,31).
What are the key properties of N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide?
N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 456.46 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 55502593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).