N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide

C16H15BrN4O — CID 146669500

IUPACN-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C16H15BrN4O/c1-10(22)20-13-4-2-11(3-5-13)8-18-15-6-12(17)7-16-14(15)9-19-21-16/h2-7,9,18H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyMOSFDQHIJVVSRE-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.90
Rot. Bonds4

About N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide

N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide (PubChem CID 146669500) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide
PubChem CID146669500
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C16H15BrN4O/c1-10(22)20-13-4-2-11(3-5-13)8-18-15-6-12(17)7-16-14(15)9-19-21-16/h2-7,9,18H,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyMOSFDQHIJVVSRE-UHFFFAOYSA-N
XLogP3.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(6-bromo-1H-indazol-4-yl)amino]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

2-[3-[[(6-bromo-1H-indazol-4-yl)amino]methyl]anilino]acetic acid
CID 146669441
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
4-[[(6-methyl-1H-indazol-4-yl)amino]methyl]phenol
CID 130335525
6-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indazol-4-amine
CID 130335345
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
CID 63329529
N-(2,1,3-benzoxadiazol-4-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669430
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442
N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
CID 65435679
N-[(4-acetamidophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 61066667
2-(6-bromo-1H-indazol-4-yl)acetic acid
CID 174657901

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide (CID 146669500) is N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1.
What is the InChIKey of N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide?
The InChIKey is MOSFDQHIJVVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-10(22)20-13-4-2-11(3-5-13)8-18-15-6-12(17)7-16-14(15)9-19-21-16/h2-7,9,18H,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide?
N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide has a molecular weight of 359.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-bromo-1H-indazol-4-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 146669500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).