4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide

C22H18BrN3O3 — CID 117073893

IUPAC4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(OCC(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18BrN3O3/c23-17-5-1-14(2-6-17)21(27)13-29-19-8-3-15(4-9-19)22(28)25-18-7-10-20-16(11-18)12-24-26-20/h1-12,21,27H,13H2,(H,24,26)(H,25,28)
InChIKeyPHLBUGAJDXUAAN-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.69
Rot. Bonds6

About 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide

4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide (PubChem CID 117073893) has the molecular formula C22H18BrN3O3 and a molecular weight of 452.31 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide
PubChem CID117073893
Molecular FormulaC22H18BrN3O3
Molecular Weight452.31 g/mol
Exact Mass451.05
IUPAC Name4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc(OCC(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18BrN3O3/c23-17-5-1-14(2-6-17)21(27)13-29-19-8-3-15(4-9-19)22(28)25-18-7-10-20-16(11-18)12-24-26-20/h1-12,21,27H,13H2,(H,24,26)(H,25,28)
InChIKeyPHLBUGAJDXUAAN-UHFFFAOYSA-N
XLogP4.69
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-pyridin-3-ylbenzamide;2,2,2-trifluoroacetic acid
CID 117073434
N-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 69422881
N-(1H-indazol-5-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 71943302
N-(1H-indazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 110468858
5-bromo-N-(1H-indazol-5-yl)-2-methylbenzamide
CID 65311684
3-chloro-N-(1H-indazol-5-yl)-4-iodobenzamide
CID 103221440
5,6-dichloro-N-(1H-indazol-5-yl)pyridine-3-carboxamide
CID 60712400
N-(1H-indazol-5-yl)-5-methyl-1,3-oxazole-2-carboxamide
CID 112527219
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
6-bromo-N-(1H-indazol-6-yl)pyridine-3-carboxamide
CID 66464887
N-(1H-indazol-5-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110475136

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide?
The IUPAC name of 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide (CID 117073893) is 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide?
The canonical SMILES for 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccc(OCC(O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide?
The InChIKey is PHLBUGAJDXUAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3/c23-17-5-1-14(2-6-17)21(27)13-29-19-8-3-15(4-9-19)22(28)25-18-7-10-20-16(11-18)12-24-26-20/h1-12,21,27H,13H2,(H,24,26)(H,25,28).
What are the key properties of 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide?
4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide has a molecular weight of 452.31 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-2-hydroxyethoxy]-N-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 117073893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).