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

C20H26ClN3O — CID 11546868

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O/c1-23(2)14-13-19(15-5-9-17(21)10-6-15)22-20(25)16-7-11-18(12-8-16)24(3)4/h5-12,19H,13-14H2,1-4H3,(H,22,25)
InChIKeyINHVINJBYGIEBE-UHFFFAOYSA-N
MW359.90 g/mol
LogP3.83
Rot. Bonds7

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

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide (PubChem CID 11546868) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide
PubChem CID11546868
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide
SMILESCN(C)CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H26ClN3O/c1-23(2)14-13-19(15-5-9-17(21)10-6-15)22-20(25)16-7-11-18(12-8-16)24(3)4/h5-12,19H,13-14H2,1-4H3,(H,22,25)
InChIKeyINHVINJBYGIEBE-UHFFFAOYSA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.83
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-(dimethylamino)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide (CID 11546868) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide is CN(C)CCC(NC(=O)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide?
The InChIKey is INHVINJBYGIEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-23(2)14-13-19(15-5-9-17(21)10-6-15)22-20(25)16-7-11-18(12-8-16)24(3)4/h5-12,19H,13-14H2,1-4H3,(H,22,25).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(dimethylamino)benzamide has a molecular weight of 359.90 g/mol, XLogP of 3.83, 7 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-(dimethylamino)benzamide is sourced from PubChem (CID 11546868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).