3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide

C17H18N2O — CID 115160767

IUPAC3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O/c18-16-6-2-5-15(10-16)17(20)19-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10H,1,3-4,11,18H2,(H,19,20)
InChIKeyFUYQVCAMLGBJJC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide

3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide (PubChem CID 115160767) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
PubChem CID115160767
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
SMILESNc1cccc(C(=O)NCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O/c18-16-6-2-5-15(10-16)17(20)19-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10H,1,3-4,11,18H2,(H,19,20)
InChIKeyFUYQVCAMLGBJJC-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 62499945
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
3-amino-N-[(4-cyanophenyl)methyl]benzamide
CID 54937872
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935
3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
CID 115211886
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide (CID 115160767) is 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide is Nc1cccc(C(=O)NCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide?
The InChIKey is FUYQVCAMLGBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-16-6-2-5-15(10-16)17(20)19-11-12-7-8-13-3-1-4-14(13)9-12/h2,5-10H,1,3-4,11,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide?
3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide is sourced from PubChem (CID 115160767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).