2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C16H14ClFN4O2 — CID 2682734

IUPAC2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN4O2/c1-10(11-2-5-13(18)6-3-11)19-16(23)9-24-22-15-8-12(17)4-7-14(15)20-21-22/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m0/s1
InChIKeyOLBXTRZYWDAVAP-JTQLQIEISA-N
MW348.77 g/mol
LogP2.53
Rot. Bonds5

About 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2682734) has the molecular formula C16H14ClFN4O2 and a molecular weight of 348.77 g/mol. Its IUPAC name is 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID2682734
Molecular FormulaC16H14ClFN4O2
Molecular Weight348.77 g/mol
Exact Mass348.08
IUPAC Name2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN4O2/c1-10(11-2-5-13(18)6-3-11)19-16(23)9-24-22-15-8-12(17)4-7-14(15)20-21-22/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m0/s1
InChIKeyOLBXTRZYWDAVAP-JTQLQIEISA-N
XLogP2.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chlorobenzotriazol-1-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 4669415
2-(6-methylsulfonylbenzotriazol-1-yl)oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7701532
methyl 3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706238
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 2629341
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(7-chloro-4-oxoquinolin-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 100739457
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
methyl 3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706166
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 2682734) is 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)COn1nnc2ccc(Cl)cc21)c1ccc(F)cc1.
What is the InChIKey of 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is OLBXTRZYWDAVAP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14ClFN4O2/c1-10(11-2-5-13(18)6-3-11)19-16(23)9-24-22-15-8-12(17)4-7-14(15)20-21-22/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m0/s1.
What are the key properties of 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 348.77 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzotriazol-1-yl)oxy-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2682734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).