N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide

C16H15N3O2 — CID 19805432

IUPACN-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2[nH]c(=O)c3ccccc32)c1
InChIInChI=1S/C16H15N3O2/c1-11(20)17-13-6-4-5-12(9-13)10-19-15-8-3-2-7-14(15)16(21)18-19/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyCMRFPBRKMBVFKH-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.34
Rot. Bonds3

About N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide

N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide (PubChem CID 19805432) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide
PubChem CID19805432
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2[nH]c(=O)c3ccccc32)c1
InChIInChI=1S/C16H15N3O2/c1-11(20)17-13-6-4-5-12(9-13)10-19-15-8-3-2-7-14(15)16(21)18-19/h2-9H,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyCMRFPBRKMBVFKH-UHFFFAOYSA-N
XLogP2.34
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]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

1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
CID 70933361
1-[(5-chlorothiophen-2-yl)methyl]-2H-indazol-3-one;1-[(3-methylphenyl)methyl]-2H-indazol-3-one
CID 157220769
N-[3-(diethylaminomethyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38809412
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
CID 99816656
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
1-[(2-fluorophenyl)methyl]-2H-indazol-3-one
CID 10752656
9-[(3-acetamidophenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174414730

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide (CID 19805432) is N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2[nH]c(=O)c3ccccc32)c1.
What is the InChIKey of N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is CMRFPBRKMBVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(20)17-13-6-4-5-12(9-13)10-19-15-8-3-2-7-14(15)16(21)18-19/h2-9H,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide?
N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 19805432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).