N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide

C16H14N4O2 — CID 863030

IUPACN-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C16H14N4O2/c1-11(21)12-5-4-6-13(9-12)17-16(22)10-20-15-8-3-2-7-14(15)18-19-20/h2-9H,10H2,1H3,(H,17,22)
InChIKeyUSKMYSVVRNEGCI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.27
Rot. Bonds4

About N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide

N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide (PubChem CID 863030) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
PubChem CID863030
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C16H14N4O2/c1-11(21)12-5-4-6-13(9-12)17-16(22)10-20-15-8-3-2-7-14(15)18-19-20/h2-9H,10H2,1H3,(H,17,22)
InChIKeyUSKMYSVVRNEGCI-UHFFFAOYSA-N
XLogP2.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
2-(benzotriazol-1-yl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 162786952
2-(benzotriazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 46820366
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
2-(benzotriazol-1-yl)-N-[1-(3-bromophenyl)ethylideneamino]acetamide
CID 4259013
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
CID 60548282
2-(benzotriazol-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 857306
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide (CID 863030) is N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide?
The InChIKey is USKMYSVVRNEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11(21)12-5-4-6-13(9-12)17-16(22)10-20-15-8-3-2-7-14(15)18-19-20/h2-9H,10H2,1H3,(H,17,22).
What are the key properties of N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide?
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide is sourced from PubChem (CID 863030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).