3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide

C24H23Cl2N3O2 — CID 25054825

IUPAC3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
SMILESCN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H23Cl2N3O2/c1-29(2)15-16-6-9-20(10-7-16)28-24(31)18-5-3-4-17(12-18)14-27-23(30)19-8-11-21(25)22(26)13-19/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIKWVQFQVIJTYCU-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.24
Rot. Bonds7

About 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide

3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide (PubChem CID 25054825) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
PubChem CID25054825
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC Name3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
SMILESCN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H23Cl2N3O2/c1-29(2)15-16-6-9-20(10-7-16)28-24(31)18-5-3-4-17(12-18)14-27-23(30)19-8-11-21(25)22(26)13-19/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIKWVQFQVIJTYCU-UHFFFAOYSA-N
XLogP5.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-methylbenzamide
CID 25054568
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-3,4,5-trimethoxybenzamide
CID 25054826
tert-butyl N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]carbamate
CID 44817757
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
3-[(dimethylamino)methyl]-N-[(4-ethylphenyl)methyl]benzamide
CID 119041971
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide (CID 25054825) is 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide is CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide?
The InChIKey is IKWVQFQVIJTYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c1-29(2)15-16-6-9-20(10-7-16)28-24(31)18-5-3-4-17(12-18)14-27-23(30)19-8-11-21(25)22(26)13-19/h3-13H,14-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide?
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide has a molecular weight of 456.37 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 25054825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).