4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide

C14H10Cl4N2O — CID 82811367

IUPAC4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-6-2-3-8(15)13(11(6)18)20-14(21)7-4-9(16)12(19)10(17)5-7/h2-5H,19H2,1H3,(H,20,21)
InChIKeyJKKNOKVXJPHJTB-UHFFFAOYSA-N
MW364.06 g/mol
LogP5.44
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide

4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide (PubChem CID 82811367) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
PubChem CID82811367
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
SMILESCc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-6-2-3-8(15)13(11(6)18)20-14(21)7-4-9(16)12(19)10(17)5-7/h2-5H,19H2,1H3,(H,20,21)
InChIKeyJKKNOKVXJPHJTB-UHFFFAOYSA-N
XLogP5.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
3-amino-N-(2,6-dichloro-3-methylphenyl)-5-methoxybenzamide
CID 81093926
N-(2,6-dichloro-3-methylphenyl)-4-fluorobenzamide
CID 60628486
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
N-(2,6-dichloro-3-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209863
4-(chloromethyl)-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 43333397
2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
4-amino-N-(2,6-dichloro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63105942
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide (CID 82811367) is 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide is Cc1ccc(Cl)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide?
The InChIKey is JKKNOKVXJPHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c1-6-2-3-8(15)13(11(6)18)20-14(21)7-4-9(16)12(19)10(17)5-7/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide?
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide has a molecular weight of 364.06 g/mol, XLogP of 5.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide is sourced from PubChem (CID 82811367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).