4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide

C18H20BrNO2 — CID 14425145

IUPAC4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide
SMILESCN(OCc1ccccc1)C(=O)c1ccc(CCCBr)cc1
InChIInChI=1S/C18H20BrNO2/c1-20(22-14-16-6-3-2-4-7-16)18(21)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyMOVTWLXCOVQRAY-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.22
Rot. Bonds7

About 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide

4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide (PubChem CID 14425145) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide
PubChem CID14425145
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide
SMILESCN(OCc1ccccc1)C(=O)c1ccc(CCCBr)cc1
InChIInChI=1S/C18H20BrNO2/c1-20(22-14-16-6-3-2-4-7-16)18(21)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyMOVTWLXCOVQRAY-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide?
The IUPAC name of 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide (CID 14425145) is 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide?
The canonical SMILES for 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide is CN(OCc1ccccc1)C(=O)c1ccc(CCCBr)cc1.
What is the InChIKey of 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide?
The InChIKey is MOVTWLXCOVQRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-20(22-14-16-6-3-2-4-7-16)18(21)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide?
4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopropyl)-N-methyl-N-phenylmethoxybenzamide is sourced from PubChem (CID 14425145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).