2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide

C22H19Cl2N3O — CID 144564216

IUPAC2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide
SMILESC/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H19Cl2N3O/c1-26-21(25)15-8-6-14(7-9-15)13-27-22(28)18-5-3-2-4-17(18)16-10-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H2,25,26)(H,27,28)
InChIKeyAGFGNMGYCNTZNT-UHFFFAOYSA-N
MW412.32 g/mol
LogP4.93
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide

2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide (PubChem CID 144564216) has the molecular formula C22H19Cl2N3O and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide
PubChem CID144564216
Molecular FormulaC22H19Cl2N3O
Molecular Weight412.32 g/mol
Exact Mass411.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide
SMILESC/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H19Cl2N3O/c1-26-21(25)15-8-6-14(7-9-15)13-27-22(28)18-5-3-2-4-17(18)16-10-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H2,25,26)(H,27,28)
InChIKeyAGFGNMGYCNTZNT-UHFFFAOYSA-N
XLogP4.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylbenzamide
CID 76932844
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
N-[(4-carbamimidoylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 73052178
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
2-(3,4-dichlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 4613486
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 46535520
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108749589
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide (CID 144564216) is 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide is C/N=C(\N)c1ccc(CNC(=O)c2ccccc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide?
The InChIKey is AGFGNMGYCNTZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O/c1-26-21(25)15-8-6-14(7-9-15)13-27-22(28)18-5-3-2-4-17(18)16-10-11-19(23)20(24)12-16/h2-12H,13H2,1H3,(H2,25,26)(H,27,28).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide?
2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide has a molecular weight of 412.32 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[[4-(N'-methylcarbamimidoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 144564216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).