N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide

C24H23N3O2 — CID 54810849

IUPACN-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c28-23(17-27-14-13-19-9-4-5-12-22(19)27)26-21-11-6-10-20(15-21)24(29)25-16-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,29)(H,26,28)
InChIKeyCMRJRTJWQSSQIX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.62
Rot. Bonds6

About N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide

N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide (PubChem CID 54810849) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
PubChem CID54810849
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c28-23(17-27-14-13-19-9-4-5-12-22(19)27)26-21-11-6-10-20(15-21)24(29)25-16-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,29)(H,26,28)
InChIKeyCMRJRTJWQSSQIX-UHFFFAOYSA-N
XLogP3.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54810873
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54810727
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54810846
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 166219373
N-[3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54810898
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 47389879
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
2-(2,3-dihydroindol-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54810775
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide (CID 54810849) is N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide is O=C(CN1CCc2ccccc21)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
The InChIKey is CMRJRTJWQSSQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-23(17-27-14-13-19-9-4-5-12-22(19)27)26-21-11-6-10-20(15-21)24(29)25-16-18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,25,29)(H,26,28).
What are the key properties of N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide?
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide has a molecular weight of 385.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 54810849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).