(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide

C17H16FN5O2 — CID 95330771

IUPAC(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(C(=O)Cn1nnc2ccccc21)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H16FN5O2/c1-22(16(17(19)25)11-5-4-6-12(18)9-11)15(24)10-23-14-8-3-2-7-13(14)20-21-23/h2-9,16H,10H2,1H3,(H2,19,25)/t16-/m0/s1
InChIKeyULGRLEZJIFPGJR-INIZCTEOSA-N
MW341.35 g/mol
LogP1.26
Rot. Bonds5

About (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide

(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide (PubChem CID 95330771) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide
PubChem CID95330771
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(C(=O)Cn1nnc2ccccc21)[C@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C17H16FN5O2/c1-22(16(17(19)25)11-5-4-6-12(18)9-11)15(24)10-23-14-8-3-2-7-13(14)20-21-23/h2-9,16H,10H2,1H3,(H2,19,25)/t16-/m0/s1
InChIKeyULGRLEZJIFPGJR-INIZCTEOSA-N
XLogP1.26
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-2-(3,4-dimethoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 98101176
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-2-(3-methoxyphenyl)acetamide
CID 3195520
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-2-(4-ethoxy-3-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 3198490
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(2-methylbutan-2-yl)-2-quinolin-6-ylacetamide
CID 3198938
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide
CID 1465820
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684344
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-benzyl-2-(4-ethoxyphenyl)acetamide
CID 1463595
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)-2-phenylacetamide
CID 25456178
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(2-methylbutan-2-yl)-2-(5-methylfuran-2-yl)acetamide
CID 3198778
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(3-methoxyphenyl)-N-(2-methylbutan-2-yl)acetamide
CID 3196213
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 3178177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide (CID 95330771) is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide is CN(C(=O)Cn1nnc2ccccc21)[C@H](C(N)=O)c1cccc(F)c1.
What is the InChIKey of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide?
The InChIKey is ULGRLEZJIFPGJR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-22(16(17(19)25)11-5-4-6-12(18)9-11)15(24)10-23-14-8-3-2-7-13(14)20-21-23/h2-9,16H,10H2,1H3,(H2,19,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide?
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide has a molecular weight of 341.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 95330771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).