4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide

C13H9Cl2IN2O — CID 107624122

IUPAC4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C13H9Cl2IN2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)15/h1-6H,17H2,(H,18,19)
InChIKeyJVPLSNWREOSUFZ-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.43
Rot. Bonds2

About 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide

4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide (PubChem CID 107624122) has the molecular formula C13H9Cl2IN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
PubChem CID107624122
Molecular FormulaC13H9Cl2IN2O
Molecular Weight407.04 g/mol
Exact Mass405.91
IUPAC Name4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2I)c(Cl)c1
InChIInChI=1S/C13H9Cl2IN2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)15/h1-6H,17H2,(H,18,19)
InChIKeyJVPLSNWREOSUFZ-UHFFFAOYSA-N
XLogP4.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(2,4-diaminophenyl)benzamide
CID 3289915
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
CID 103807582

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide (CID 107624122) is 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(Cl)cc2I)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide?
The InChIKey is JVPLSNWREOSUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IN2O/c14-7-1-4-12(11(16)5-7)18-13(19)9-3-2-8(17)6-10(9)15/h1-6H,17H2,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide?
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide has a molecular weight of 407.04 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide is sourced from PubChem (CID 107624122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).