N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide

C18H16F3N3O3 — CID 108933635

IUPACN-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)17(27)23-10-12-6-8-14(9-7-12)24-15(25)11-22-16(26)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyWEPWGTYOKKVFSD-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.23
Rot. Bonds6

About N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide

N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide (PubChem CID 108933635) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
PubChem CID108933635
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)17(27)23-10-12-6-8-14(9-7-12)24-15(25)11-22-16(26)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyWEPWGTYOKKVFSD-UHFFFAOYSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 166070237

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide (CID 108933635) is N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide?
The InChIKey is WEPWGTYOKKVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)17(27)23-10-12-6-8-14(9-7-12)24-15(25)11-22-16(26)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide?
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide has a molecular weight of 379.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide is sourced from PubChem (CID 108933635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).