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

C20H23ClN2O — CID 75469513

IUPAC4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)N(C2CC2)C2Cc3ccccc3C2)ccc1N.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-13-10-16(6-9-19(13)21)20(23)22(17-7-8-17)18-11-14-4-2-3-5-15(14)12-18;/h2-6,9-10,17-18H,7-8,11-12,21H2,1H3;1H
InChIKeyJWAQUZPHTBNMQY-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.77
Rot. Bonds3

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

4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride (PubChem CID 75469513) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride
PubChem CID75469513
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)N(C2CC2)C2Cc3ccccc3C2)ccc1N.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-13-10-16(6-9-19(13)21)20(23)22(17-7-8-17)18-11-14-4-2-3-5-15(14)12-18;/h2-6,9-10,17-18H,7-8,11-12,21H2,1H3;1H
InChIKeyJWAQUZPHTBNMQY-UHFFFAOYSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride (CID 75469513) is 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride is Cc1cc(C(=O)N(C2CC2)C2Cc3ccccc3C2)ccc1N.Cl.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride?
The InChIKey is JWAQUZPHTBNMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-13-10-16(6-9-19(13)21)20(23)22(17-7-8-17)18-11-14-4-2-3-5-15(14)12-18;/h2-6,9-10,17-18H,7-8,11-12,21H2,1H3;1H.
What are the key properties of 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride?
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-2-yl)-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 75469513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).