4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide

C17H18BrNO2 — CID 102851528

IUPAC4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C17H18BrNO2/c1-13-3-2-4-16(11-13)21-10-9-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyKZXCWGKPIIITEU-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.70
Rot. Bonds6

About 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide

4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 102851528) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID102851528
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2ccc(CBr)cc2)c1
InChIInChI=1S/C17H18BrNO2/c1-13-3-2-4-16(11-13)21-10-9-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyKZXCWGKPIIITEU-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.70
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

N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-[2-(methanesulfonamido)ethyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27021904
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
N-[3-(3-methylphenoxy)propyl]-4-[(R)-methylsulfinyl]benzamide
CID 30299875
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 100506728
N-[3-(3-methylphenoxy)propyl]-4-pyrrol-1-ylbenzamide
CID 24533410

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 102851528) is 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2ccc(CBr)cc2)c1.
What is the InChIKey of 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is KZXCWGKPIIITEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13-3-2-4-16(11-13)21-10-9-19-17(20)15-7-5-14(12-18)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 102851528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).