N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide

C17H18N2O — CID 62499945

IUPACN-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNc1cccc(CNC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O/c18-16-6-1-3-12(9-16)11-19-17(20)15-8-7-13-4-2-5-14(13)10-15/h1,3,6-10H,2,4-5,11,18H2,(H,19,20)
InChIKeyZGZAZHBBDBSVAE-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.69
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 62499945) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID62499945
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESNc1cccc(CNC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H18N2O/c18-16-6-1-3-12(9-16)11-19-17(20)15-8-7-13-4-2-5-14(13)10-15/h1,3,6-10H,2,4-5,11,18H2,(H,19,20)
InChIKeyZGZAZHBBDBSVAE-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

3-amino-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 115160767
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550
N-[[2-(hydroxymethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110909083
3-[(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)methyl]aniline
CID 115211886
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 62499945) is N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide is Nc1cccc(CNC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ZGZAZHBBDBSVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-16-6-1-3-12(9-16)11-19-17(20)15-8-7-13-4-2-5-14(13)10-15/h1,3,6-10H,2,4-5,11,18H2,(H,19,20).
What are the key properties of N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide 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 N-[(3-aminophenyl)methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 62499945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).