N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide

C20H15BrClNO — CID 11795286

IUPACN-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide
SMILESO=C(NCc1c(Br)cccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15BrClNO/c21-19-8-4-7-17(14-9-11-16(22)12-10-14)18(19)13-23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)
InChIKeyLXVBVUJBSOQVMC-UHFFFAOYSA-N
MW400.70 g/mol
LogP5.70
Rot. Bonds4

About N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide

N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide (PubChem CID 11795286) has the molecular formula C20H15BrClNO and a molecular weight of 400.70 g/mol. Its IUPAC name is N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide
PubChem CID11795286
Molecular FormulaC20H15BrClNO
Molecular Weight400.70 g/mol
Exact Mass399.00
IUPAC NameN-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide
SMILESO=C(NCc1c(Br)cccc1-c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C20H15BrClNO/c21-19-8-4-7-17(14-9-11-16(22)12-10-14)18(19)13-23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)
InChIKeyLXVBVUJBSOQVMC-UHFFFAOYSA-N
XLogP5.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-bromophenyl)phenyl]methyl]benzamide
CID 134869465
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
2-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]isoindole-1,3-dione
CID 10788585
4-chloro-N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 2804312
4-chloro-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 91449149
N-[[2,6-bis(dimethylamino)phenyl]methyl]-4-chlorobenzamide
CID 2805368
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide (CID 11795286) is N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide is O=C(NCc1c(Br)cccc1-c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide?
The InChIKey is LXVBVUJBSOQVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO/c21-19-8-4-7-17(14-9-11-16(22)12-10-14)18(19)13-23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24).
What are the key properties of N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide?
N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide has a molecular weight of 400.70 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-6-(4-chlorophenyl)phenyl]methyl]benzamide is sourced from PubChem (CID 11795286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).