4-[3-(2-bromoethoxy)phenyl]benzamide

C15H14BrNO2 — CID 58276262

IUPAC4-[3-(2-bromoethoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OCCBr)c2)cc1
InChIInChI=1S/C15H14BrNO2/c16-8-9-19-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(17)18/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyAMHGVPPRYYVLGI-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.23
Rot. Bonds5

About 4-[3-(2-bromoethoxy)phenyl]benzamide

4-[3-(2-bromoethoxy)phenyl]benzamide (PubChem CID 58276262) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[3-(2-bromoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[3-(2-bromoethoxy)phenyl]benzamide
PubChem CID58276262
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-[3-(2-bromoethoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(OCCBr)c2)cc1
InChIInChI=1S/C15H14BrNO2/c16-8-9-19-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(17)18/h1-7,10H,8-9H2,(H2,17,18)
InChIKeyAMHGVPPRYYVLGI-UHFFFAOYSA-N
XLogP3.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromohexoxy)benzamide
CID 59402930
3-(10-bromodecoxy)benzamide
CID 59402968
4-[3-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]benzamide
CID 58276753
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
CID 58276768
4-(4-propoxyphenyl)benzamide
CID 23771495
3-propoxybenzamide
CID 22311435
4-(3-ethylphenyl)benzamide
CID 54454087
3,5-bis[3-(3-phenylphenoxy)propoxy]benzoic acid
CID 18951535
4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
ethyl 3-[3-(4-hydroxyphenyl)phenoxy]propanoate
CID 174425410
4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
CID 167167795

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromoethoxy)phenyl]benzamide?
The IUPAC name of 4-[3-(2-bromoethoxy)phenyl]benzamide (CID 58276262) is 4-[3-(2-bromoethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[3-(2-bromoethoxy)phenyl]benzamide?
The canonical SMILES for 4-[3-(2-bromoethoxy)phenyl]benzamide is NC(=O)c1ccc(-c2cccc(OCCBr)c2)cc1.
What is the InChIKey of 4-[3-(2-bromoethoxy)phenyl]benzamide?
The InChIKey is AMHGVPPRYYVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-8-9-19-14-3-1-2-13(10-14)11-4-6-12(7-5-11)15(17)18/h1-7,10H,8-9H2,(H2,17,18).
What are the key properties of 4-[3-(2-bromoethoxy)phenyl]benzamide?
4-[3-(2-bromoethoxy)phenyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromoethoxy)phenyl]benzamide is sourced from PubChem (CID 58276262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).