3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide

C21H18BrNO2 — CID 17072648

IUPAC3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrNO2/c22-19-15-17(21(24)23-18-9-5-2-6-10-18)11-12-20(19)25-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24)
InChIKeyVYSIPLSBQGKLOK-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.32
Rot. Bonds6

About 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide

3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide (PubChem CID 17072648) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
PubChem CID17072648
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC Name3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrNO2/c22-19-15-17(21(24)23-18-9-5-2-6-10-18)11-12-20(19)25-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24)
InChIKeyVYSIPLSBQGKLOK-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[3-(phenylcarbamoyl)phenyl]-4-(2-phenylethoxy)benzamide
CID 54781131
N-(3-acetamidophenyl)-3-bromo-4-(2-phenylethoxy)benzamide
CID 17189867
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
3-bromo-N-(3-methoxyphenyl)-4-(2-phenylethoxy)benzamide
CID 17072702
3-bromo-N-[3-(2-methylpropanoylamino)phenyl]-4-(2-phenylethoxy)benzamide
CID 17189283
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-bromo-4-(3-phenylpropoxy)benzohydrazide
CID 54793160

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide?
The IUPAC name of 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide (CID 17072648) is 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide is O=C(Nc1ccccc1)c1ccc(OCCc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide?
The InChIKey is VYSIPLSBQGKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c22-19-15-17(21(24)23-18-9-5-2-6-10-18)11-12-20(19)25-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,24).
What are the key properties of 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide?
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide has a molecular weight of 396.28 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17072648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).