N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

C23H21N3O3 — CID 146208863

IUPACN-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C23H21N3O3/c1-29-20-7-3-5-17(12-20)22(14-27)25-23(28)18-6-2-4-15(10-18)16-8-9-21-19(11-16)13-24-26-21/h2-13,22,27H,14H2,1H3,(H,24,26)(H,25,28)
InChIKeyBPKLWGGNPZJROD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.70
Rot. Bonds6

About N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide

N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146208863) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146208863
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide
SMILESCOc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1
InChIInChI=1S/C23H21N3O3/c1-29-20-7-3-5-17(12-20)22(14-27)25-23(28)18-6-2-4-15(10-18)16-8-9-21-19(11-16)13-24-26-21/h2-13,22,27H,14H2,1H3,(H,24,26)(H,25,28)
InChIKeyBPKLWGGNPZJROD-UHFFFAOYSA-N
XLogP3.70
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide (CID 146208863) is N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is COc1cccc(C(CO)NC(=O)c2cccc(-c3ccc4[nH]ncc4c3)c2)c1.
What is the InChIKey of N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is BPKLWGGNPZJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-20-7-3-5-17(12-20)22(14-27)25-23(28)18-6-2-4-15(10-18)16-8-9-21-19(11-16)13-24-26-21/h2-13,22,27H,14H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide?
N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methoxyphenyl)ethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).