3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide

C15H15Cl2N3O — CID 61117248

IUPAC3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H15Cl2N3O/c1-20(8-9-2-3-11(16)6-14(9)17)15(21)10-4-12(18)7-13(19)5-10/h2-7H,8,18-19H2,1H3
InChIKeyBIWVKEFCOLKRPY-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.43
Rot. Bonds3

About 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide

3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide (PubChem CID 61117248) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
PubChem CID61117248
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C15H15Cl2N3O/c1-20(8-9-2-3-11(16)6-14(9)17)15(21)10-4-12(18)7-13(19)5-10/h2-7H,8,18-19H2,1H3
InChIKeyBIWVKEFCOLKRPY-UHFFFAOYSA-N
XLogP3.43
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
3-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118651
4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328
2-(4-aminopyrazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 61116906
3-bromo-N-[(2,4-dichlorophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 60775674
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide (CID 61117248) is 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is BIWVKEFCOLKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(8-9-2-3-11(16)6-14(9)17)15(21)10-4-12(18)7-13(19)5-10/h2-7H,8,18-19H2,1H3.
What are the key properties of 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide?
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 324.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 61117248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).