2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone

C16H14F3NO — CID 146409402

IUPAC2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCNCC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO/c1-20-10-15(21)12-7-5-11(6-8-12)13-3-2-4-14(9-13)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyNDKXBCKXZZNWOG-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.77
Rot. Bonds4

About 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone

2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone (PubChem CID 146409402) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
PubChem CID146409402
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone
SMILESCNCC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO/c1-20-10-15(21)12-7-5-11(6-8-12)13-3-2-4-14(9-13)16(17,18)19/h2-9,20H,10H2,1H3
InChIKeyNDKXBCKXZZNWOG-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
phenyl-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 132564507
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671
methyl N-[2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]ethyl]carbamate
CID 134800899
CID 134803729
CID 134803729
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
1-[1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-4-sulfanylpyrrol-2-yl]propan-1-one
CID 146643637
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
(2S)-3-(4-phenylphenyl)-2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718027
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
2-[1-methyl-5-[4-[3-(trifluoromethyl)phenyl]benzoyl]pyrrol-2-yl]acetic acid
CID 54424803
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone (CID 146409402) is 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone is CNCC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone?
The InChIKey is NDKXBCKXZZNWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-20-10-15(21)12-7-5-11(6-8-12)13-3-2-4-14(9-13)16(17,18)19/h2-9,20H,10H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone?
2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone has a molecular weight of 293.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 146409402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).