2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide

C13H9ClIN3O3 — CID 103732791

IUPAC2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClIN3O3/c14-9-6-7(15)4-5-10(9)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyAYDXCINYXXXMGE-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.69
Rot. Bonds3

About 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide

2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide (PubChem CID 103732791) has the molecular formula C13H9ClIN3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide
PubChem CID103732791
Molecular FormulaC13H9ClIN3O3
Molecular Weight417.59 g/mol
Exact Mass416.94
IUPAC Name2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9ClIN3O3/c14-9-6-7(15)4-5-10(9)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyAYDXCINYXXXMGE-UHFFFAOYSA-N
XLogP3.69
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
2-amino-N-(3-chlorophenyl)-3-nitrobenzamide
CID 115677622
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-chloro-N-(2-chloro-4-methylphenyl)-3-nitrobenzamide
CID 115930887
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-methyl-3-nitrobenzamide
CID 17102287
N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
CID 62680232
N-(2-chloro-4-iodophenyl)naphthalene-1-carboxamide
CID 1370762
5-amino-N-(2-chlorophenyl)-2-nitrobenzamide
CID 62155739

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide (CID 103732791) is 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide is Nc1c(C(=O)Nc2ccc(I)cc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide?
The InChIKey is AYDXCINYXXXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClIN3O3/c14-9-6-7(15)4-5-10(9)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide?
2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide has a molecular weight of 417.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide is sourced from PubChem (CID 103732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).