2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C17H15F2N5O2 — CID 134051745

IUPAC2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cn1nnc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N5O2/c1-20-17(26)16(10-6-7-11(18)12(19)8-10)21-15(25)9-24-14-5-3-2-4-13(14)22-23-24/h2-8,16H,9H2,1H3,(H,20,26)(H,21,25)
InChIKeyKPJQGVPYHGVUGS-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 134051745) has the molecular formula C17H15F2N5O2 and a molecular weight of 359.34 g/mol. Its IUPAC name is 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID134051745
Molecular FormulaC17H15F2N5O2
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC Name2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cn1nnc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C17H15F2N5O2/c1-20-17(26)16(10-6-7-11(18)12(19)8-10)21-15(25)9-24-14-5-3-2-4-13(14)22-23-24/h2-8,16H,9H2,1H3,(H,20,26)(H,21,25)
InChIKeyKPJQGVPYHGVUGS-UHFFFAOYSA-N
XLogP1.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(2-phenylindol-1-yl)acetyl]amino]acetamide
CID 55483076
2-(3,4-difluorophenyl)-N-methyl-2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]acetamide
CID 55483220
2-(benzotriazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8025608
2-(benzotriazol-1-yl)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]acetamide
CID 95791753
methyl (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 51532512
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
2-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 55502195
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 134035226
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
2-(3,4-difluorophenyl)-N-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 78834515
N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 134051678

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 134051745) is 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)Cn1nnc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is KPJQGVPYHGVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O2/c1-20-17(26)16(10-6-7-11(18)12(19)8-10)21-15(25)9-24-14-5-3-2-4-13(14)22-23-24/h2-8,16H,9H2,1H3,(H,20,26)(H,21,25).
What are the key properties of 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 359.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 134051745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).