(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide

C17H15ClN4O3 — CID 41095144

IUPAC(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClN4O3/c1-10(23)12-3-6-14(7-4-12)19-17(24)11(2)25-22-16-9-13(18)5-8-15(16)20-21-22/h3-9,11H,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyXPGRIXWBGZZCAN-LLVKDONJSA-N
MW358.79 g/mol
LogP2.74
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide

(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide (PubChem CID 41095144) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
PubChem CID41095144
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClN4O3/c1-10(23)12-3-6-14(7-4-12)19-17(24)11(2)25-22-16-9-13(18)5-8-15(16)20-21-22/h3-9,11H,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyXPGRIXWBGZZCAN-LLVKDONJSA-N
XLogP2.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
(2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550497
(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-fluorophenyl)propanamide
CID 7687183
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
CID 7668539
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511902
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508224
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8629680
(2R)-N-(4-cyanophenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxypropanamide
CID 9102658
(2S)-2-(benzotriazol-1-yloxy)-N-(4-cyanophenyl)propanamide
CID 41096096
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021503
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide (CID 41095144) is (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)On2nnc3ccc(Cl)cc32)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide?
The InChIKey is XPGRIXWBGZZCAN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-10(23)12-3-6-14(7-4-12)19-17(24)11(2)25-22-16-9-13(18)5-8-15(16)20-21-22/h3-9,11H,1-2H3,(H,19,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide?
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide has a molecular weight of 358.79 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide is sourced from PubChem (CID 41095144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).