N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide

C22H17F2N3O2 — CID 146208864

IUPACN-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
SMILESO=C(NC(CO)c1cc(F)cc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H17F2N3O2/c23-18-8-16(9-19(24)10-18)21(12-28)26-22(29)15-3-1-2-13(6-15)14-4-5-20-17(7-14)11-25-27-20/h1-11,21,28H,12H2,(H,25,27)(H,26,29)
InChIKeyPYFPSABYONOQHX-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide

N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide (PubChem CID 146208864) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
PubChem CID146208864
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC NameN-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide
SMILESO=C(NC(CO)c1cc(F)cc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H17F2N3O2/c23-18-8-16(9-19(24)10-18)21(12-28)26-22(29)15-3-1-2-13(6-15)14-4-5-20-17(7-14)11-25-27-20/h1-11,21,28H,12H2,(H,25,27)(H,26,29)
InChIKeyPYFPSABYONOQHX-UHFFFAOYSA-N
XLogP3.97
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide (CID 146208864) is N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide is O=C(NC(CO)c1cc(F)cc(F)c1)c1cccc(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide?
The InChIKey is PYFPSABYONOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-18-8-16(9-19(24)10-18)21(12-28)26-22(29)15-3-1-2-13(6-15)14-4-5-20-17(7-14)11-25-27-20/h1-11,21,28H,12H2,(H,25,27)(H,26,29).
What are the key properties of N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide?
N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide has a molecular weight of 393.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-2-hydroxyethyl]-3-(1H-indazol-5-yl)benzamide is sourced from PubChem (CID 146208864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).