N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide

C14H10Br2INO — CID 114259152

IUPACN-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1I)c1ccc(CBr)cc1
InChIInChI=1S/C14H10Br2INO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyBYTBVWHORCJBNT-UHFFFAOYSA-N
MW494.95 g/mol
LogP5.20
Rot. Bonds3

About N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide

N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide (PubChem CID 114259152) has the molecular formula C14H10Br2INO and a molecular weight of 494.95 g/mol. Its IUPAC name is N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
PubChem CID114259152
Molecular FormulaC14H10Br2INO
Molecular Weight494.95 g/mol
Exact Mass492.82
IUPAC NameN-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1cc(Br)ccc1I)c1ccc(CBr)cc1
InChIInChI=1S/C14H10Br2INO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyBYTBVWHORCJBNT-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
CID 114261542
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
methyl N-(5-bromo-2-iodophenyl)carbamate
CID 130159713
4-bromo-N-(5-bromo-2-fluorophenyl)benzamide
CID 43555883
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide (CID 114259152) is N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide is O=C(Nc1cc(Br)ccc1I)c1ccc(CBr)cc1.
What is the InChIKey of N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide?
The InChIKey is BYTBVWHORCJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2INO/c15-8-9-1-3-10(4-2-9)14(19)18-13-7-11(16)5-6-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide?
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide has a molecular weight of 494.95 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 114259152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).