N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide

C24H25ClN2O — CID 11663047

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide
SMILESCN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyJXJCJZNVWYQHIF-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.43
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide (PubChem CID 11663047) has the molecular formula C24H25ClN2O and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide
PubChem CID11663047
Molecular FormulaC24H25ClN2O
Molecular Weight392.93 g/mol
Exact Mass392.17
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide
SMILESCN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyJXJCJZNVWYQHIF-UHFFFAOYSA-N
XLogP5.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide (CID 11663047) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide is CN(C)CCC(NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide?
The InChIKey is JXJCJZNVWYQHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O/c1-27(2)17-16-23(20-12-14-22(25)15-13-20)26-24(28)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15,23H,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide has a molecular weight of 392.93 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenylbenzamide is sourced from PubChem (CID 11663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).