N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide

C16H11ClF6N2O — CID 11158353

IUPACN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyKVDJTXBXMWJJEF-UHFFFAOYSA-N
MW396.72 g/mol
LogP4.75
Rot. Bonds4

About N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 11158353) has the molecular formula C16H11ClF6N2O and a molecular weight of 396.72 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID11158353
Molecular FormulaC16H11ClF6N2O
Molecular Weight396.72 g/mol
Exact Mass396.05
IUPAC NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)
InChIKeyKVDJTXBXMWJJEF-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.72
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fluopicolide
CID 11159021
Befiradol
CID 9865384
Ica-27243
CID 9903497
N-(2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-2-hydroxyethyl)-2-(trifluoromethyl)benzamide
CID 87667694
Ztz240
CID 3780776
N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839
(+)-2-chloro-N-(3-(1-(trifluoromethyl)cyclopropyl)-2-(2-(trifluoromethyl)pyridin-5-yl)propyl)benzamide
CID 73673308
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
2,3-Dichloro-N-[2-(6-cyclopropyl-3-pyridyl)-3-[1-(difluoromethyl)cyclopropyl)propyl]benzamide
CID 86716303
N-benzyl-5-(4-chlorophenyl)nicotinamide
CID 46032908
5-(4-chlorophenyl)-N-(2-methylbenzyl)nicotinamide
CID 52945923

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide (CID 11158353) is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is KVDJTXBXMWJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26).
What are the key properties of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 396.72 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 11158353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).