4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

C16H15BrFNO2 — CID 102852031

IUPAC4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CBr)cc2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-2-21-15-8-7-13(9-14(15)18)19-16(20)12-5-3-11(10-17)4-6-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyFENKTZWIRJHJGN-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.37
Rot. Bonds5

About 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide

4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (PubChem CID 102852031) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
PubChem CID102852031
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(CBr)cc2)cc1F
InChIInChI=1S/C16H15BrFNO2/c1-2-21-15-8-7-13(9-14(15)18)19-16(20)12-5-3-11(10-17)4-6-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyFENKTZWIRJHJGN-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.37
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-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-fluorobenzamide
CID 103706990
N-(3,4-difluorophenyl)-3,4-diethoxybenzamide
CID 3371741
N-(4-ethoxy-3-fluorophenyl)-3-hydroxy-4-methylbenzamide
CID 115993807
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide (CID 102852031) is 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(CBr)cc2)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
The InChIKey is FENKTZWIRJHJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-2-21-15-8-7-13(9-14(15)18)19-16(20)12-5-3-11(10-17)4-6-12/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide?
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide has a molecular weight of 352.20 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide is sourced from PubChem (CID 102852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).