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

C24H24Cl2N2O — CID 69166105

IUPAC3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
SMILESCN(C)C(CCNC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O/c1-28(2)23(18-8-12-22(26)13-9-18)14-15-27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,27,29)
InChIKeyFNHSUJXUTMDNRU-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.08
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide (PubChem CID 69166105) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
PubChem CID69166105
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC Name3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
SMILESCN(C)C(CCNC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl2N2O/c1-28(2)23(18-8-12-22(26)13-9-18)14-15-27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,27,29)
InChIKeyFNHSUJXUTMDNRU-UHFFFAOYSA-N
XLogP6.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)-3-(4-methylphenyl)propyl]-4-naphthalen-2-ylbenzamide
CID 69165231
N-[3-(dimethylamino)-3-naphthalen-2-ylpropyl]-4-naphthalen-2-ylbenzamide
CID 69165220
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-phenylbenzamide
CID 24953415
N-[(1S)-1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-naphthalen-2-ylbenzamide
CID 24953762
N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 70558605
3-[3-(dimethylamino)phenyl]-N-[(3R)-3-methoxybutyl]benzamide
CID 125163466
3-chloro-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108571437
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
3-(4-carbamoylphenyl)-N-[(2S)-2-(dimethylamino)pentyl]benzamide
CID 126430841
3-[1-(4-chlorophenyl)ethoxy]-N-propylbenzamide
CID 86114741
3-(4-chlorophenyl)benzoic acid
CID 2757419
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide (CID 69166105) is 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide is CN(C)C(CCNC(=O)c1cccc(-c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide?
The InChIKey is FNHSUJXUTMDNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c1-28(2)23(18-8-12-22(26)13-9-18)14-15-27-24(29)20-5-3-4-19(16-20)17-6-10-21(25)11-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,27,29).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide?
3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide has a molecular weight of 427.38 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 69166105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).