2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

C16H12F6N2O — CID 44602648

IUPAC2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6N2O/c17-15(18,19)10-5-6-11(24-9-10)7-8-23-14(25)12-3-1-2-4-13(12)16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
InChIKeyPQVYQOJTCQJZNU-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.09
Rot. Bonds4

About 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide

2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (PubChem CID 44602648) has the molecular formula C16H12F6N2O and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
PubChem CID44602648
Molecular FormulaC16H12F6N2O
Molecular Weight362.27 g/mol
Exact Mass362.09
IUPAC Name2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6N2O/c17-15(18,19)10-5-6-11(24-9-10)7-8-23-14(25)12-3-1-2-4-13(12)16(20,21)22/h1-6,9H,7-8H2,(H,23,25)
InChIKeyPQVYQOJTCQJZNU-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
CID 166262738
3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate
CID 136548083
2-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]benzamide
CID 129392878
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 87667694

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide (CID 44602648) is 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is O=C(NCCc1ccc(C(F)(F)F)cn1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
The InChIKey is PQVYQOJTCQJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O/c17-15(18,19)10-5-6-11(24-9-10)7-8-23-14(25)12-3-1-2-4-13(12)16(20,21)22/h1-6,9H,7-8H2,(H,23,25).
What are the key properties of 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide?
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 44602648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).