2-amino-3-chloro-N-(3-iodophenyl)benzamide

C13H10ClIN2O — CID 113331655

IUPAC2-amino-3-chloro-N-(3-iodophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H10ClIN2O/c14-11-6-2-5-10(12(11)16)13(18)17-9-4-1-3-8(15)7-9/h1-7H,16H2,(H,17,18)
InChIKeyJTNAEKLGDHUZAO-UHFFFAOYSA-N
MW372.59 g/mol
LogP3.78
Rot. Bonds2

About 2-amino-3-chloro-N-(3-iodophenyl)benzamide

2-amino-3-chloro-N-(3-iodophenyl)benzamide (PubChem CID 113331655) has the molecular formula C13H10ClIN2O and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-iodophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-iodophenyl)benzamide
PubChem CID113331655
Molecular FormulaC13H10ClIN2O
Molecular Weight372.59 g/mol
Exact Mass371.95
IUPAC Name2-amino-3-chloro-N-(3-iodophenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cccc(I)c1
InChIInChI=1S/C13H10ClIN2O/c14-11-6-2-5-10(12(11)16)13(18)17-9-4-1-3-8(15)7-9/h1-7H,16H2,(H,17,18)
InChIKeyJTNAEKLGDHUZAO-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 53.78
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-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-chloro-N-[3-[(3-iodobenzoyl)amino]phenyl]benzamide
CID 1097784
3-chloro-N-(3-iodophenyl)-2-nitrobenzamide
CID 79821868
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2,4-diamino-N-(3-iodophenyl)benzamide
CID 61095527
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
2-amino-3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 115539984
2,3-difluoro-N-(3-iodophenyl)benzamide
CID 62650350
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-iodophenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-iodophenyl)benzamide (CID 113331655) is 2-amino-3-chloro-N-(3-iodophenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-iodophenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-iodophenyl)benzamide is Nc1c(Cl)cccc1C(=O)Nc1cccc(I)c1.
What is the InChIKey of 2-amino-3-chloro-N-(3-iodophenyl)benzamide?
The InChIKey is JTNAEKLGDHUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2O/c14-11-6-2-5-10(12(11)16)13(18)17-9-4-1-3-8(15)7-9/h1-7H,16H2,(H,17,18).
What are the key properties of 2-amino-3-chloro-N-(3-iodophenyl)benzamide?
2-amino-3-chloro-N-(3-iodophenyl)benzamide has a molecular weight of 372.59 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-iodophenyl)benzamide is sourced from PubChem (CID 113331655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).