2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide

C23H19F2N5O2 — CID 171770212

IUPAC2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(N(Cc2cc(F)cc(F)c2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C23H19F2N5O2/c24-17-9-16(10-18(25)12-17)13-29(19-7-5-15(6-8-19)11-22(26)31)23(32)14-30-21-4-2-1-3-20(21)27-28-30/h1-10,12H,11,13-14H2,(H2,26,31)
InChIKeyUZTHFTQEHRXXHI-UHFFFAOYSA-N
MW435.43 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide

2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide (PubChem CID 171770212) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
PubChem CID171770212
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(N(Cc2cc(F)cc(F)c2)C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C23H19F2N5O2/c24-17-9-16(10-18(25)12-17)13-29(19-7-5-15(6-8-19)11-22(26)31)23(32)14-30-21-4-2-1-3-20(21)27-28-30/h1-10,12H,11,13-14H2,(H2,26,31)
InChIKeyUZTHFTQEHRXXHI-UHFFFAOYSA-N
XLogP2.97
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
2-(benzotriazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770171
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
CID 171770253
2-(benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 56932136
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 171770305
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2-oxoimidazolidin-4-yl)phenyl]acetamide
CID 171770241
2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770306
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(5-oxopyrrolidin-3-yl)phenyl]acetamide
CID 171770290
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-methylamino]-2-(3-fluorophenyl)acetamide
CID 95330771
2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 169091805
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 175635820

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide (CID 171770212) is 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(N(Cc2cc(F)cc(F)c2)C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide?
The InChIKey is UZTHFTQEHRXXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c24-17-9-16(10-18(25)12-17)13-29(19-7-5-15(6-8-19)11-22(26)31)23(32)14-30-21-4-2-1-3-20(21)27-28-30/h1-10,12H,11,13-14H2,(H2,26,31).
What are the key properties of 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide?
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide has a molecular weight of 435.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide is sourced from PubChem (CID 171770212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).