5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide

C20H15BrClNO2 — CID 2953641

IUPAC5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H15BrClNO2/c21-15-6-11-19(22)18(12-15)20(24)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)
InChIKeyULTKIVRCZQCATO-UHFFFAOYSA-N
MW416.70 g/mol
LogP5.93
Rot. Bonds5

About 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide

5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 2953641) has the molecular formula C20H15BrClNO2 and a molecular weight of 416.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID2953641
Molecular FormulaC20H15BrClNO2
Molecular Weight416.70 g/mol
Exact Mass415.00
IUPAC Name5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C20H15BrClNO2/c21-15-6-11-19(22)18(12-15)20(24)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)
InChIKeyULTKIVRCZQCATO-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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2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
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4-bromo-N-(3-chlorophenyl)-2-phenylmethoxybenzamide
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CID 1336313
5-bromo-2-ethoxy-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
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5-bromo-2-chloro-N-[3-(methoxymethyl)phenyl]benzamide
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5-bromo-2-chloro-N-[3-cyano-1-(3-phenylmethoxyphenyl)pyrazol-5-yl]benzamide
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CID 1105902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide (CID 2953641) is 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is ULTKIVRCZQCATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO2/c21-15-6-11-19(22)18(12-15)20(24)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24).
What are the key properties of 5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide?
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide 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-2-chloro-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 2953641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).