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

C23H21FN4O — CID 146209157

IUPACN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc12
InChIInChI=1S/C23H21FN4O/c1-14-20-12-16(8-9-21(20)28-27-14)15-4-2-6-18(10-15)23(29)26-22(13-25)17-5-3-7-19(24)11-17/h2-12,22H,13,25H2,1H3,(H,26,29)(H,27,28)
InChIKeyNVLQIKQWLNZLFR-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide (PubChem CID 146209157) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
PubChem CID146209157
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide
SMILESCc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc12
InChIInChI=1S/C23H21FN4O/c1-14-20-12-16(8-9-21(20)28-27-14)15-4-2-6-18(10-15)23(29)26-22(13-25)17-5-3-7-19(24)11-17/h2-12,22H,13,25H2,1H3,(H,26,29)(H,27,28)
InChIKeyNVLQIKQWLNZLFR-UHFFFAOYSA-N
XLogP4.11
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.11
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-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide (CID 146209157) is N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide is Cc1[nH]nc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc12.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
The InChIKey is NVLQIKQWLNZLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-14-20-12-16(8-9-21(20)28-27-14)15-4-2-6-18(10-15)23(29)26-22(13-25)17-5-3-7-19(24)11-17/h2-12,22H,13,25H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide?
N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 4.11, 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-(3-fluorophenyl)ethyl]-3-(3-methyl-2H-indazol-5-yl)benzamide is sourced from PubChem (CID 146209157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).