2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride

C20H23ClN2O — CID 119742610

IUPAC2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O.ClH/c21-16-8-5-14(6-9-16)13-20(23)22(17-10-11-17)19-12-7-15-3-1-2-4-18(15)19;/h1-6,8-9,17,19H,7,10-13,21H2;1H
InChIKeyGVKBKZFNERBGRE-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride

2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride (PubChem CID 119742610) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
PubChem CID119742610
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
SMILESCl.Nc1ccc(CC(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O.ClH/c21-16-8-5-14(6-9-16)13-20(23)22(17-10-11-17)19-12-7-15-3-1-2-4-18(15)19;/h1-6,8-9,17,19H,7,10-13,21H2;1H
InChIKeyGVKBKZFNERBGRE-UHFFFAOYSA-N
XLogP3.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide;hydrochloride
CID 119742632
3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120609184
7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-2-[1-(methylsulfonylmethyl)cyclopropyl]acetamide
CID 71925231
N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
CID 67417202
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 43575493
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride (CID 119742610) is 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride is Cl.Nc1ccc(CC(=O)N(C2CC2)C2CCc3ccccc32)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
The InChIKey is GVKBKZFNERBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c21-16-8-5-14(6-9-16)13-20(23)22(17-10-11-17)19-12-7-15-3-1-2-4-18(15)19;/h1-6,8-9,17,19H,7,10-13,21H2;1H.
What are the key properties of 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119742610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).