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

C24H25ClN2O2 — CID 11567714

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide
SMILESCN(C)CCC(NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(18-8-12-20(25)13-9-18)26-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyPXVQTBHXZHSXTC-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.56
Rot. Bonds8

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

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide (PubChem CID 11567714) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide
PubChem CID11567714
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide
SMILESCN(C)CCC(NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(18-8-12-20(25)13-9-18)26-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)
InChIKeyPXVQTBHXZHSXTC-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide (CID 11567714) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide is CN(C)CCC(NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide?
The InChIKey is PXVQTBHXZHSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-27(2)17-16-23(18-8-12-20(25)13-9-18)26-24(28)19-10-14-22(15-11-19)29-21-6-4-3-5-7-21/h3-15,23H,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide has a molecular weight of 408.93 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-phenoxybenzamide is sourced from PubChem (CID 11567714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).