3-(6-bromohexoxy)benzamide

C13H18BrNO2 — CID 59402930

IUPAC3-(6-bromohexoxy)benzamide
SMILESNC(=O)c1cccc(OCCCCCCBr)c1
InChIInChI=1S/C13H18BrNO2/c14-8-3-1-2-4-9-17-12-7-5-6-11(10-12)13(15)16/h5-7,10H,1-4,8-9H2,(H2,15,16)
InChIKeyJZPNRQHGQFHWEG-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.12
Rot. Bonds8

About 3-(6-bromohexoxy)benzamide

3-(6-bromohexoxy)benzamide (PubChem CID 59402930) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-(6-bromohexoxy)benzamide.

Molecular Properties

Compound Name3-(6-bromohexoxy)benzamide
PubChem CID59402930
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-(6-bromohexoxy)benzamide
SMILESNC(=O)c1cccc(OCCCCCCBr)c1
InChIInChI=1S/C13H18BrNO2/c14-8-3-1-2-4-9-17-12-7-5-6-11(10-12)13(15)16/h5-7,10H,1-4,8-9H2,(H2,15,16)
InChIKeyJZPNRQHGQFHWEG-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.12
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-(10-bromodecoxy)benzamide
CID 59402968
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-(6-bromohexoxy)benzamide?
The IUPAC name of 3-(6-bromohexoxy)benzamide (CID 59402930) is 3-(6-bromohexoxy)benzamide.
What is the SMILES notation for 3-(6-bromohexoxy)benzamide?
The canonical SMILES for 3-(6-bromohexoxy)benzamide is NC(=O)c1cccc(OCCCCCCBr)c1.
What is the InChIKey of 3-(6-bromohexoxy)benzamide?
The InChIKey is JZPNRQHGQFHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-8-3-1-2-4-9-17-12-7-5-6-11(10-12)13(15)16/h5-7,10H,1-4,8-9H2,(H2,15,16).
What are the key properties of 3-(6-bromohexoxy)benzamide?
3-(6-bromohexoxy)benzamide has a molecular weight of 300.20 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromohexoxy)benzamide is sourced from PubChem (CID 59402930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).