N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide

C15H12BrClINO2 — CID 103221890

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12BrClINO2/c1-21-8-10-11(16)3-2-4-14(10)19-15(20)9-5-6-13(18)12(17)7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUNOYUEPJOPMTPX-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.11
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide

N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide (PubChem CID 103221890) has the molecular formula C15H12BrClINO2 and a molecular weight of 480.53 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide
PubChem CID103221890
Molecular FormulaC15H12BrClINO2
Molecular Weight480.53 g/mol
Exact Mass478.88
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H12BrClINO2/c1-21-8-10-11(16)3-2-4-14(10)19-15(20)9-5-6-13(18)12(17)7-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUNOYUEPJOPMTPX-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
6-bromo-N-[3-bromo-2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 66463924
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide (CID 103221890) is N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide is COCc1c(Br)cccc1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide?
The InChIKey is UNOYUEPJOPMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClINO2/c1-21-8-10-11(16)3-2-4-14(10)19-15(20)9-5-6-13(18)12(17)7-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide has a molecular weight of 480.53 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103221890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).