2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide

C16H10ClF3N4O2 — CID 137366532

IUPAC2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2noc(C(F)(F)F)n2)nc1)c1ccccc1Cl
InChIInChI=1S/C16H10ClF3N4O2/c17-11-4-2-1-3-10(11)14(25)22-8-9-5-6-12(21-7-9)13-23-15(26-24-13)16(18,19)20/h1-7H,8H2,(H,22,25)
InChIKeyWLQLODLYTXNBFV-UHFFFAOYSA-N
MW382.73 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide

2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide (PubChem CID 137366532) has the molecular formula C16H10ClF3N4O2 and a molecular weight of 382.73 g/mol. Its IUPAC name is 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide
PubChem CID137366532
Molecular FormulaC16H10ClF3N4O2
Molecular Weight382.73 g/mol
Exact Mass382.04
IUPAC Name2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2noc(C(F)(F)F)n2)nc1)c1ccccc1Cl
InChIInChI=1S/C16H10ClF3N4O2/c17-11-4-2-1-3-10(11)14(25)22-8-9-5-6-12(21-7-9)13-23-15(26-24-13)16(18,19)20/h1-7H,8H2,(H,22,25)
InChIKeyWLQLODLYTXNBFV-UHFFFAOYSA-N
XLogP3.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-chloro-N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]benzamide
CID 155768845
(2S)-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155220226
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
2-(1-fluoroethoxy)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 142438590
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
6-[5-[bromo(difluoro)methyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 164881569
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
2-chloro-N-[6-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]-2,2-difluoroacetamide
CID 25184777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide (CID 137366532) is 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide is O=C(NCc1ccc(-c2noc(C(F)(F)F)n2)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide?
The InChIKey is WLQLODLYTXNBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2/c17-11-4-2-1-3-10(11)14(25)22-8-9-5-6-12(21-7-9)13-23-15(26-24-13)16(18,19)20/h1-7H,8H2,(H,22,25).
What are the key properties of 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide?
2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide has a molecular weight of 382.73 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 137366532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).