(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide

C15H12ClFN4O2 — CID 7687183

IUPAC(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12ClFN4O2/c1-9(15(22)18-12-5-3-2-4-11(12)17)23-21-14-8-10(16)6-7-13(14)19-20-21/h2-9H,1H3,(H,18,22)/t9-/m1/s1
InChIKeyKWQCJXPUDUPUIK-SECBINFHSA-N
MW334.74 g/mol
LogP2.68
Rot. Bonds4

About (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide (PubChem CID 7687183) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
PubChem CID7687183
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
SMILESC[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12ClFN4O2/c1-9(15(22)18-12-5-3-2-4-11(12)17)23-21-14-8-10(16)6-7-13(14)19-20-21/h2-9H,1H3,(H,18,22)/t9-/m1/s1
InChIKeyKWQCJXPUDUPUIK-SECBINFHSA-N
XLogP2.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
CID 7668539
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2S)-2-(2,5-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 7269908
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(4-chloro-2-methylphenoxy)-N-(2-fluorophenyl)propanamide
CID 724043
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508960
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 18083223
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide (CID 7687183) is (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide is C[C@@H](On1nnc2ccc(Cl)cc21)C(=O)Nc1ccccc1F.
What is the InChIKey of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide?
The InChIKey is KWQCJXPUDUPUIK-SECBINFHSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-9(15(22)18-12-5-3-2-4-11(12)17)23-21-14-8-10(16)6-7-13(14)19-20-21/h2-9H,1H3,(H,18,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide?
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide has a molecular weight of 334.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 7687183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).