4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride

C23H22ClFN2O — CID 68604408

IUPAC4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccc(F)c(CNC3Cc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21FN2O.ClH/c24-22-10-9-19(15-5-7-16(8-6-15)23(25)27)11-20(22)14-26-21-12-17-3-1-2-4-18(17)13-21;/h1-11,21,26H,12-14H2,(H2,25,27);1H
InChIKeyYIUCAKXXPOSTAY-UHFFFAOYSA-N
MW396.89 g/mol
LogP4.27
Rot. Bonds5

About 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride

4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride (PubChem CID 68604408) has the molecular formula C23H22ClFN2O and a molecular weight of 396.89 g/mol. Its IUPAC name is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
PubChem CID68604408
Molecular FormulaC23H22ClFN2O
Molecular Weight396.89 g/mol
Exact Mass396.14
IUPAC Name4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccc(F)c(CNC3Cc4ccccc4C3)c2)cc1
InChIInChI=1S/C23H21FN2O.ClH/c24-22-10-9-19(15-5-7-16(8-6-15)23(25)27)11-20(22)14-26-21-12-17-3-1-2-4-18(17)13-21;/h1-11,21,26H,12-14H2,(H2,25,27);1H
InChIKeyYIUCAKXXPOSTAY-UHFFFAOYSA-N
XLogP4.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.89
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride?
The IUPAC name of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride (CID 68604408) is 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride?
The canonical SMILES for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride is Cl.NC(=O)c1ccc(-c2ccc(F)c(CNC3Cc4ccccc4C3)c2)cc1.
What is the InChIKey of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride?
The InChIKey is YIUCAKXXPOSTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O.ClH/c24-22-10-9-19(15-5-7-16(8-6-15)23(25)27)11-20(22)14-26-21-12-17-3-1-2-4-18(17)13-21;/h1-11,21,26H,12-14H2,(H2,25,27);1H.
What are the key properties of 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride?
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride has a molecular weight of 396.89 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride is sourced from PubChem (CID 68604408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).