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

C15H13BrINO2 — CID 61400591

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13BrINO2/c1-20-9-12-13(16)3-2-4-14(12)18-15(19)10-5-7-11(17)8-6-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWXPVMHABRPAPEQ-UHFFFAOYSA-N
MW446.08 g/mol
LogP4.45
Rot. Bonds4

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

N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide (PubChem CID 61400591) has the molecular formula C15H13BrINO2 and a molecular weight of 446.08 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
PubChem CID61400591
Molecular FormulaC15H13BrINO2
Molecular Weight446.08 g/mol
Exact Mass444.92
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
SMILESCOCc1c(Br)cccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H13BrINO2/c1-20-9-12-13(16)3-2-4-14(12)18-15(19)10-5-7-11(17)8-6-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWXPVMHABRPAPEQ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.08
LogP ≤ 54.45
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]-3-chloro-4-iodobenzamide
CID 103221890
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]-2,2,2-trifluoroacetamide
CID 63374766
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
N-(4-iodophenyl)-4-(methoxymethyl)benzamide
CID 8571988

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide (CID 61400591) is N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide is COCc1c(Br)cccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide?
The InChIKey is WXPVMHABRPAPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrINO2/c1-20-9-12-13(16)3-2-4-14(12)18-15(19)10-5-7-11(17)8-6-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide has a molecular weight of 446.08 g/mol, XLogP of 4.45, 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]-4-iodobenzamide is sourced from PubChem (CID 61400591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).