N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide

C13H9BrClIN2O — CID 103218765

IUPACN-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
SMILESNc1cc(NC(=O)c2ccc(I)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H9BrClIN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19)
InChIKeyWXISIPHUHJJXAZ-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.54
Rot. Bonds2

About N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide

N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide (PubChem CID 103218765) has the molecular formula C13H9BrClIN2O and a molecular weight of 451.49 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
PubChem CID103218765
Molecular FormulaC13H9BrClIN2O
Molecular Weight451.49 g/mol
Exact Mass449.86
IUPAC NameN-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
SMILESNc1cc(NC(=O)c2ccc(I)c(Cl)c2)ccc1Br
InChIInChI=1S/C13H9BrClIN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19)
InChIKeyWXISIPHUHJJXAZ-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.54
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

N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(3-amino-4-ethylphenyl)-3-chloro-4-iodobenzamide
CID 103218699
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-(6-bromo-3-pyridinyl)-3-chloro-4-iodobenzamide
CID 114051737
3-chloro-N-(3,4-dicyanophenyl)-4-iodobenzamide
CID 103738054
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
N-[3-(bromomethyl)phenyl]-3-chloro-4-iodobenzamide
CID 103212445
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide (CID 103218765) is N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide is Nc1cc(NC(=O)c2ccc(I)c(Cl)c2)ccc1Br.
What is the InChIKey of N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide?
The InChIKey is WXISIPHUHJJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClIN2O/c14-9-3-2-8(6-12(9)17)18-13(19)7-1-4-11(16)10(15)5-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide?
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide has a molecular weight of 451.49 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103218765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).