2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide

C13H10Cl3N3O — CID 61093960

IUPAC2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H10Cl3N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20)
InChIKeyIMKSKGXVLJFUIA-UHFFFAOYSA-N
MW330.60 g/mol
LogP4.06
Rot. Bonds2

About 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide

2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 61093960) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID61093960
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H10Cl3N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20)
InChIKeyIMKSKGXVLJFUIA-UHFFFAOYSA-N
XLogP4.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 54.06
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-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
2,4-dichloro-N-(2,4-diaminophenyl)benzamide
CID 3289915
2-amino-5-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 62510533
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
4-fluoro-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107015128
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 61092674
2-amino-N-(2,6-dichlorophenyl)-4-methoxybenzamide
CID 110451620
N-(4-amino-2,6-dichlorophenyl)-2,4-dimethylbenzamide
CID 16772418

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide (CID 61093960) is 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide is Nc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is IMKSKGXVLJFUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c14-6-3-9(15)12(10(16)4-6)19-13(20)8-2-1-7(17)5-11(8)18/h1-5H,17-18H2,(H,19,20).
What are the key properties of 2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide?
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 330.60 g/mol, XLogP of 4.06, 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-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 61093960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).