3-(10-bromodecoxy)benzamide

C17H26BrNO2 — CID 59402968

IUPAC3-(10-bromodecoxy)benzamide
SMILESNC(=O)c1cccc(OCCCCCCCCCCBr)c1
InChIInChI=1S/C17H26BrNO2/c18-12-7-5-3-1-2-4-6-8-13-21-16-11-9-10-15(14-16)17(19)20/h9-11,14H,1-8,12-13H2,(H2,19,20)
InChIKeySHIXCXYGEBBBPX-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.68
Rot. Bonds12

About 3-(10-bromodecoxy)benzamide

3-(10-bromodecoxy)benzamide (PubChem CID 59402968) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-(10-bromodecoxy)benzamide.

Molecular Properties

Compound Name3-(10-bromodecoxy)benzamide
PubChem CID59402968
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name3-(10-bromodecoxy)benzamide
SMILESNC(=O)c1cccc(OCCCCCCCCCCBr)c1
InChIInChI=1S/C17H26BrNO2/c18-12-7-5-3-1-2-4-6-8-13-21-16-11-9-10-15(14-16)17(19)20/h9-11,14H,1-8,12-13H2,(H2,19,20)
InChIKeySHIXCXYGEBBBPX-UHFFFAOYSA-N
XLogP4.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bromohexoxy)benzamide
CID 59402930
3-(5-butoxypentoxy)benzamide
CID 71713772
1,3-bis(10-bromodecoxy)benzene
CID 11800753
3-propoxybenzamide
CID 22311435
3-(2-phenylethoxy)benzamide
CID 17135006
4-[3-(2-bromoethoxy)phenyl]benzamide
CID 58276262
1,2-bis(3-hexoxyphenyl)ethane-1,2-dione
CID 71777687
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
3-(6-bromohexoxy)benzonitrile
CID 13450889
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
1-(3-henicosoxyphenyl)ethanone
CID 23127401

Frequently Asked Questions

What is the IUPAC name of 3-(10-bromodecoxy)benzamide?
The IUPAC name of 3-(10-bromodecoxy)benzamide (CID 59402968) is 3-(10-bromodecoxy)benzamide.
What is the SMILES notation for 3-(10-bromodecoxy)benzamide?
The canonical SMILES for 3-(10-bromodecoxy)benzamide is NC(=O)c1cccc(OCCCCCCCCCCBr)c1.
What is the InChIKey of 3-(10-bromodecoxy)benzamide?
The InChIKey is SHIXCXYGEBBBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c18-12-7-5-3-1-2-4-6-8-13-21-16-11-9-10-15(14-16)17(19)20/h9-11,14H,1-8,12-13H2,(H2,19,20).
What are the key properties of 3-(10-bromodecoxy)benzamide?
3-(10-bromodecoxy)benzamide has a molecular weight of 356.30 g/mol, XLogP of 4.68, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-bromodecoxy)benzamide is sourced from PubChem (CID 59402968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).