4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

C15H20BrNO2 — CID 114112849

IUPAC4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyNLPBLLRZBBHFAH-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds7

About 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide

4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (PubChem CID 114112849) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
PubChem CID114112849
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
SMILESCOCCC1(CNC(=O)c2ccc(CBr)cc2)CC1
InChIInChI=1S/C15H20BrNO2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyNLPBLLRZBBHFAH-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.13
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

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 103804726
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801674
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide (CID 114112849) is 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is COCCC1(CNC(=O)c2ccc(CBr)cc2)CC1.
What is the InChIKey of 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
The InChIKey is NLPBLLRZBBHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-19-9-8-15(6-7-15)11-17-14(18)13-4-2-12(10-16)3-5-13/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide?
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 114112849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).