5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide

C20H15BrClNO2 — CID 51356955

IUPAC5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C20H15BrClNO2/c21-15-9-10-19(25-13-14-5-2-1-3-6-14)18(11-15)20(24)23-17-8-4-7-16(22)12-17/h1-12H,13H2,(H,23,24)
InChIKeyBSAHUMPLCPZMJU-UHFFFAOYSA-N
MW416.70 g/mol
LogP5.93
Rot. Bonds5

About 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide

5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide (PubChem CID 51356955) has the molecular formula C20H15BrClNO2 and a molecular weight of 416.70 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
PubChem CID51356955
Molecular FormulaC20H15BrClNO2
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC Name5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C20H15BrClNO2/c21-15-9-10-19(25-13-14-5-2-1-3-6-14)18(11-15)20(24)23-17-8-4-7-16(22)12-17/h1-12H,13H2,(H,23,24)
InChIKeyBSAHUMPLCPZMJU-UHFFFAOYSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.70
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-bromo-N-(3-chlorophenyl)-2-hydroxybenzamide
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5-Bromo-N-(3-methylphenyl)-2-[(phenylmethyl)oxy]benzamide
CID 51356954
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CID 69936228
5-Bromo-N-[3-(methyloxy)phenyl]-2-[(phenylmethyl)oxy]benzamide
CID 69936275
N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide
CID 139340236
N-(3-Chlorophenyl)-2-methoxybenzamide
CID 531914
[4-Bromo-2-[(3-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334222
[4-Bromo-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide (CID 51356955) is 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide is O=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide?
The InChIKey is BSAHUMPLCPZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO2/c21-15-9-10-19(25-13-14-5-2-1-3-6-14)18(11-15)20(24)23-17-8-4-7-16(22)12-17/h1-12H,13H2,(H,23,24).
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide?
5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide has a molecular weight of 416.70 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 51356955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).