2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide

C16H22BrNO2 — CID 65009957

IUPAC2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCC1(CBr)CCCCCC1
InChIInChI=1S/C16H22BrNO2/c17-11-16(9-5-1-2-6-10-16)12-20-14-8-4-3-7-13(14)15(18)19/h3-4,7-8H,1-2,5-6,9-12H2,(H2,18,19)
InChIKeyGLAXLVFOOQQJNV-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.90
Rot. Bonds5

About 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide

2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide (PubChem CID 65009957) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide
PubChem CID65009957
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCC1(CBr)CCCCCC1
InChIInChI=1S/C16H22BrNO2/c17-11-16(9-5-1-2-6-10-16)12-20-14-8-4-3-7-13(14)15(18)19/h3-4,7-8H,1-2,5-6,9-12H2,(H2,18,19)
InChIKeyGLAXLVFOOQQJNV-UHFFFAOYSA-N
XLogP3.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.90
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

2-[(1-hydroxycyclohexyl)methoxy]benzamide
CID 65213697
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-iodobenzene
CID 65002254
1-[2-[[4-(bromomethyl)oxan-4-yl]methoxy]phenyl]ethanone
CID 65004785
1-(bromomethyl)-1-[[2-(trifluoromethyl)phenoxy]methyl]cycloheptane
CID 65010543
1-[2-[[1-(bromomethyl)cyclohexyl]methoxy]-5-methylphenyl]ethanone
CID 65002255
1-(bromomethyl)-1-[(2-prop-1-enylphenoxy)methyl]cycloheptane
CID 77052674
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2-fluoro-3-methylbenzene
CID 107657637
1-bromo-2-[[1-(bromomethyl)cyclohexyl]methoxy]naphthalene
CID 65001798
1-[[1-(bromomethyl)cyclohexyl]methoxy]-2,4-difluorobenzene
CID 65002199
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid
CID 117094828

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide?
The IUPAC name of 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide (CID 65009957) is 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide.
What is the SMILES notation for 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide?
The canonical SMILES for 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide is NC(=O)c1ccccc1OCC1(CBr)CCCCCC1.
What is the InChIKey of 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide?
The InChIKey is GLAXLVFOOQQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-11-16(9-5-1-2-6-10-16)12-20-14-8-4-3-7-13(14)15(18)19/h3-4,7-8H,1-2,5-6,9-12H2,(H2,18,19).
What are the key properties of 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide?
2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide is sourced from PubChem (CID 65009957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).