5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide

C28H24BrNO3 — CID 141273565

IUPAC5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cc(OCCBr)ccc1OCc1ccccc1
InChIInChI=1S/C28H24BrNO3/c29-16-17-32-25-14-15-27(33-20-21-8-3-1-4-9-21)26(19-25)28(31)30-24-13-7-12-23(18-24)22-10-5-2-6-11-22/h1-15,18-19H,16-17,20H2,(H,30,31)
InChIKeyQATRDNSNQIFPDV-UHFFFAOYSA-N
MW502.41 g/mol
LogP6.96
Rot. Bonds9

About 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide

5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide (PubChem CID 141273565) has the molecular formula C28H24BrNO3 and a molecular weight of 502.41 g/mol. Its IUPAC name is 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide.

Molecular Properties

Compound Name5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
PubChem CID141273565
Molecular FormulaC28H24BrNO3
Molecular Weight502.41 g/mol
Exact Mass501.09
IUPAC Name5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide
SMILESO=C(Nc1cccc(-c2ccccc2)c1)c1cc(OCCBr)ccc1OCc1ccccc1
InChIInChI=1S/C28H24BrNO3/c29-16-17-32-25-14-15-27(33-20-21-8-3-1-4-9-21)26(19-25)28(31)30-24-13-7-12-23(18-24)22-10-5-2-6-11-22/h1-15,18-19H,16-17,20H2,(H,30,31)
InChIKeyQATRDNSNQIFPDV-UHFFFAOYSA-N
XLogP6.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.41
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylmethoxy-N-(3-phenylphenyl)-5-pyridin-4-ylbenzamide
CID 141273620
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
tert-butyl 2-[[5-(bromomethoxy)-2-phenylmethoxybenzoyl]amino]-4-phenylbenzoate
CID 142764678
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
4-phenyl-2-[[2-phenylmethoxy-5-[2-(4-propylpiperazin-1-yl)ethoxy]benzoyl]amino]benzoic acid
CID 151055921
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
2-[(5-bromo-2-phenylmethoxybenzoyl)amino]-4-phenylbenzoic acid
CID 67456646
2,4-dimethoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 54790493

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide?
The IUPAC name of 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide (CID 141273565) is 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide.
What is the SMILES notation for 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide?
The canonical SMILES for 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide is O=C(Nc1cccc(-c2ccccc2)c1)c1cc(OCCBr)ccc1OCc1ccccc1.
What is the InChIKey of 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide?
The InChIKey is QATRDNSNQIFPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrNO3/c29-16-17-32-25-14-15-27(33-20-21-8-3-1-4-9-21)26(19-25)28(31)30-24-13-7-12-23(18-24)22-10-5-2-6-11-22/h1-15,18-19H,16-17,20H2,(H,30,31).
What are the key properties of 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide?
5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide has a molecular weight of 502.41 g/mol, XLogP of 6.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethoxy)-2-phenylmethoxy-N-(3-phenylphenyl)benzamide is sourced from PubChem (CID 141273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).