N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12F3NO2 — CID 155676275

IUPACN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)13-8-6-11(7-9-13)14(21)10-20-15(22)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,22)
InChIKeyKXRCVYPNTUMLAO-UHFFFAOYSA-N
MW307.27 g/mol
LogP3.32
Rot. Bonds4

About N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 155676275) has the molecular formula C16H12F3NO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID155676275
Molecular FormulaC16H12F3NO2
Molecular Weight307.27 g/mol
Exact Mass307.08
IUPAC NameN-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO2/c17-16(18,19)13-8-6-11(7-9-13)14(21)10-20-15(22)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,22)
InChIKeyKXRCVYPNTUMLAO-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminophenyl)-4-[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]benzamide
CID 141267227
CID 175394574
CID 175394574
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597511
N-[2-(4-nitrophenyl)-2-oxoethyl]benzamide
CID 12584423
(Z)-4-oxo-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-4-[2-[4-(trifluoromethyl)benzoyl]hydrazinyl]but-2-enamide;(Z)-4-oxo-5-[[4-(trifluoromethyl)benzoyl]amino]pent-2-enoic acid
CID 157214105
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
CID 161391832
CID 161391832
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 8749593
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 155676275) is N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is KXRCVYPNTUMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2/c17-16(18,19)13-8-6-11(7-9-13)14(21)10-20-15(22)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,22).
What are the key properties of N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 307.27 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 155676275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).