2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C11H10ClFN4O — CID 103716588

IUPAC2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C11H10ClFN4O/c1-6(10-14-5-15-17-10)16-11(18)9-7(12)3-2-4-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17)
InChIKeyXYKFWWYXMQFPAS-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 103716588) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID103716588
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C11H10ClFN4O/c1-6(10-14-5-15-17-10)16-11(18)9-7(12)3-2-4-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17)
InChIKeyXYKFWWYXMQFPAS-UHFFFAOYSA-N
XLogP2.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461
2,6-dichloro-N-[2,2,2-trichloro-1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 70540880
(E)-3-(2,6-dichlorophenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 103716201
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 103716588) is 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CC(NC(=O)c1c(F)cccc1Cl)c1ncn[nH]1.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is XYKFWWYXMQFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-6(10-14-5-15-17-10)16-11(18)9-7(12)3-2-4-8(9)13/h2-6H,1H3,(H,16,18)(H,14,15,17).
What are the key properties of 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 268.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103716588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).