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

C23H20F2N4O — CID 146209025

IUPACN-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4F)c3)cc12
InChIInChI=1S/C23H20F2N4O/c1-13-18-11-15(8-9-20(18)29-28-13)14-4-2-5-16(10-14)23(30)27-21(12-26)17-6-3-7-19(24)22(17)25/h2-11,21H,12,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyGKORCOIHSPYANS-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.25
Rot. Bonds5

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

N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide (PubChem CID 146209025) has the molecular formula C23H20F2N4O and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
PubChem CID146209025
Molecular FormulaC23H20F2N4O
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4F)c3)cc12
InChIInChI=1S/C23H20F2N4O/c1-13-18-11-15(8-9-20(18)29-28-13)14-4-2-5-16(10-14)23(30)27-21(12-26)17-6-3-7-19(24)22(17)25/h2-11,21H,12,26H2,1H3,(H,27,30)(H,28,29)
InChIKeyGKORCOIHSPYANS-UHFFFAOYSA-N
XLogP4.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide (CID 146209025) is N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide is Cc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4F)c3)cc12.
What is the InChIKey of N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The InChIKey is GKORCOIHSPYANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O/c1-13-18-11-15(8-9-20(18)29-28-13)14-4-2-5-16(10-14)23(30)27-21(12-26)17-6-3-7-19(24)22(17)25/h2-11,21H,12,26H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide has a molecular weight of 406.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(2,3-difluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).