2,4-diamino-N-(2,4-dichlorophenyl)benzamide

C13H11Cl2N3O — CID 61091411

IUPAC2,4-diamino-N-(2,4-dichlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2N3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19)
InChIKeyCFJRXUWEINBFGI-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.41
Rot. Bonds2

About 2,4-diamino-N-(2,4-dichlorophenyl)benzamide

2,4-diamino-N-(2,4-dichlorophenyl)benzamide (PubChem CID 61091411) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,4-diamino-N-(2,4-dichlorophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2,4-dichlorophenyl)benzamide
PubChem CID61091411
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,4-diamino-N-(2,4-dichlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2N3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19)
InChIKeyCFJRXUWEINBFGI-UHFFFAOYSA-N
XLogP3.41
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2,4-diaminophenyl)benzamide
CID 3289915
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
3,6-dichloro-N-(2,4-dichlorophenyl)pyridazine-4-carboxamide
CID 13456235
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
3-amino-4-chloro-N-(2,4-dichlorophenyl)benzamide
CID 20551991
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2,4-dichlorophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2,4-dichlorophenyl)benzamide (CID 61091411) is 2,4-diamino-N-(2,4-dichlorophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2,4-dichlorophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2,4-dichlorophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(2,4-dichlorophenyl)benzamide?
The InChIKey is CFJRXUWEINBFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-7-1-4-12(10(15)5-7)18-13(19)9-3-2-8(16)6-11(9)17/h1-6H,16-17H2,(H,18,19).
What are the key properties of 2,4-diamino-N-(2,4-dichlorophenyl)benzamide?
2,4-diamino-N-(2,4-dichlorophenyl)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(2,4-dichlorophenyl)benzamide is sourced from PubChem (CID 61091411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).