N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide

C14H9Br2Cl2NO — CID 102850859

IUPACN-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2Cl2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyRGPMWLOLGOMTAR-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.90
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide

N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide (PubChem CID 102850859) has the molecular formula C14H9Br2Cl2NO and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
PubChem CID102850859
Molecular FormulaC14H9Br2Cl2NO
Molecular Weight437.95 g/mol
Exact Mass434.84
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(CBr)cc1
InChIInChI=1S/C14H9Br2Cl2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20)
InChIKeyRGPMWLOLGOMTAR-UHFFFAOYSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
CID 28993465
N-(2-bromo-6-chloro-4-fluorophenyl)-4-(bromomethyl)benzamide
CID 107610811
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
N-(5-bromo-2-iodophenyl)-4-(bromomethyl)benzamide
CID 114259152
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65468967
N-(4-bromo-2,6-dichlorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62244012
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-bromo-2,6-dichlorophenyl)acetamide
CID 12622270
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide (CID 102850859) is N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide is O=C(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(CBr)cc1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide?
The InChIKey is RGPMWLOLGOMTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2NO/c15-7-8-1-3-9(4-2-8)14(20)19-13-11(17)5-10(16)6-12(13)18/h1-6H,7H2,(H,19,20).
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide?
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide is sourced from PubChem (CID 102850859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).