2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide

C17H14F6N2O — CID 113268835

IUPAC2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14(15(24)26)25-9-10-4-2-1-3-5-10/h1-8,14,25H,9H2,(H2,24,26)
InChIKeyRONYHWFMVVKNKW-UHFFFAOYSA-N
MW376.30 g/mol
LogP4.04
Rot. Bonds5

About 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide

2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 113268835) has the molecular formula C17H14F6N2O and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID113268835
Molecular FormulaC17H14F6N2O
Molecular Weight376.30 g/mol
Exact Mass376.10
IUPAC Name2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H14F6N2O/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14(15(24)26)25-9-10-4-2-1-3-5-10/h1-8,14,25H,9H2,(H2,24,26)
InChIKeyRONYHWFMVVKNKW-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
2-(benzylamino)-2-(4-bromo-3-fluorophenyl)acetamide
CID 81436090
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658
2-(benzylamino)-5,5,5-trifluoropentanamide
CID 67121979
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783
2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
2-phenyl-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]acetamide
CID 51315384
3-[3,5-bis(trifluoromethyl)phenoxy]-2-phenylpropanamide
CID 87779433
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
(2S)-2-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methylamino]-2-phenylacetamide
CID 95302590
(2S)-2-phenyl-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]acetamide
CID 33480155

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 113268835) is 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide is NC(=O)C(NCc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is RONYHWFMVVKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O/c18-16(19,20)12-6-11(7-13(8-12)17(21,22)23)14(15(24)26)25-9-10-4-2-1-3-5-10/h1-8,14,25H,9H2,(H2,24,26).
What are the key properties of 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113268835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).