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

C16H11ClF6N2O2 — CID 87667694

IUPACN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O2/c17-11-5-8(15(18,19)20)6-24-13(11)12(26)7-25-14(27)9-3-1-2-4-10(9)16(21,22)23/h1-6,12,26H,7H2,(H,25,27)
InChIKeyLZWQFTDQXOXRHG-UHFFFAOYSA-N
MW412.72 g/mol
LogP4.24
Rot. Bonds4

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

N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (PubChem CID 87667694) has the molecular formula C16H11ClF6N2O2 and a molecular weight of 412.72 g/mol. Its IUPAC name is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
PubChem CID87667694
Molecular FormulaC16H11ClF6N2O2
Molecular Weight412.72 g/mol
Exact Mass412.04
IUPAC NameN-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(O)c1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11ClF6N2O2/c17-11-5-8(15(18,19)20)6-24-13(11)12(26)7-25-14(27)9-3-1-2-4-10(9)16(21,22)23/h1-6,12,26H,7H2,(H,25,27)
InChIKeyLZWQFTDQXOXRHG-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 135182236
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoethyl]-2-(trifluoromethyl)benzamide
CID 176908109
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 142381958
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
2-bromo-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(ethylamino)-3-oxopropyl]benzamide
CID 69342810
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 131736890
N-[(2Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzamide
CID 118071504
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide (CID 87667694) is N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(O)c1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LZWQFTDQXOXRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N2O2/c17-11-5-8(15(18,19)20)6-24-13(11)12(26)7-25-14(27)9-3-1-2-4-10(9)16(21,22)23/h1-6,12,26H,7H2,(H,25,27).
What are the key properties of N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide?
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 412.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 87667694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).