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

C24H22FN3O — CID 163472973

IUPACN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
SMILESCC1=NCc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc21
InChIInChI=1S/C24H22FN3O/c1-15-22-12-17(8-9-20(22)14-27-15)16-4-2-6-19(10-16)24(29)28-23(13-26)18-5-3-7-21(25)11-18/h2-12,23H,13-14,26H2,1H3,(H,28,29)
InChIKeyBYBXXIZWEFLCPB-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.25
Rot. Bonds5

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

N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide (PubChem CID 163472973) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
PubChem CID163472973
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC NameN-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide
SMILESCC1=NCc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc21
InChIInChI=1S/C24H22FN3O/c1-15-22-12-17(8-9-20(22)14-27-15)16-4-2-6-19(10-16)24(29)28-23(13-26)18-5-3-7-21(25)11-18/h2-12,23H,13-14,26H2,1H3,(H,28,29)
InChIKeyBYBXXIZWEFLCPB-UHFFFAOYSA-N
XLogP4.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
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-1H-isoindol-5-yl)benzamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide (CID 163472973) is N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide is CC1=NCc2ccc(-c3cccc(C(=O)NC(CN)c4cccc(F)c4)c3)cc21.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide?
The InChIKey is BYBXXIZWEFLCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-15-22-12-17(8-9-20(22)14-27-15)16-4-2-6-19(10-16)24(29)28-23(13-26)18-5-3-7-21(25)11-18/h2-12,23H,13-14,26H2,1H3,(H,28,29).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide?
N-[2-amino-1-(3-fluorophenyl)ethyl]-3-(3-methyl-1H-isoindol-5-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 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-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 163472973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).