4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride

C28H28Cl2N2O — CID 45481597

IUPAC4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
SMILESCN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C28H27ClN2O.ClH/c1-31(2)18-17-27(25-12-9-20-5-3-4-6-24(20)19-25)30-28(32)23-10-7-21(8-11-23)22-13-15-26(29)16-14-22;/h3-16,19,27H,17-18H2,1-2H3,(H,30,32);1H/t27-;/m1./s1
InChIKeyHLNQSFAFOOOOLK-HZPIKELBSA-N
MW479.45 g/mol
LogP7.00
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride

4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride (PubChem CID 45481597) has the molecular formula C28H28Cl2N2O and a molecular weight of 479.45 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
PubChem CID45481597
Molecular FormulaC28H28Cl2N2O
Molecular Weight479.45 g/mol
Exact Mass478.16
IUPAC Name4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride
SMILESCN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C28H27ClN2O.ClH/c1-31(2)18-17-27(25-12-9-20-5-3-4-6-24(20)19-25)30-28(32)23-10-7-21(8-11-23)22-13-15-26(29)16-14-22;/h3-16,19,27H,17-18H2,1-2H3,(H,30,32);1H/t27-;/m1./s1
InChIKeyHLNQSFAFOOOOLK-HZPIKELBSA-N
XLogP7.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride (CID 45481597) is 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride is CN(C)CC[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride?
The InChIKey is HLNQSFAFOOOOLK-HZPIKELBSA-N. The full InChI is InChI=1S/C28H27ClN2O.ClH/c1-31(2)18-17-27(25-12-9-20-5-3-4-6-24(20)19-25)30-28(32)23-10-7-21(8-11-23)22-13-15-26(29)16-14-22;/h3-16,19,27H,17-18H2,1-2H3,(H,30,32);1H/t27-;/m1./s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride?
4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride has a molecular weight of 479.45 g/mol, XLogP of 7.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(1R)-3-(dimethylamino)-1-naphthalen-2-ylpropyl]benzamide;hydrochloride is sourced from PubChem (CID 45481597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).