4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide

C15H16BrNOS — CID 102851859

IUPAC4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccsc1CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNOS/c1-2-12-7-8-19-14(12)10-17-15(18)13-5-3-11(9-16)4-6-13/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGLHUSDMVJJJLAD-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.14
Rot. Bonds5

About 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide

4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide (PubChem CID 102851859) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
PubChem CID102851859
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
SMILESCCc1ccsc1CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H16BrNOS/c1-2-12-7-8-19-14(12)10-17-15(18)13-5-3-11(9-16)4-6-13/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyGLHUSDMVJJJLAD-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.14
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

N-[[4-(bromomethyl)phenyl]methyl]-3-ethylthiophene-2-carboxamide
CID 107233687
N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
CID 107032569
2-bromo-N-[(3-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 114328918
1-ethyl-3-[(3-ethylthiophen-2-yl)methyl]urea
CID 115686537
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
N-[4-(bromomethyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 114310919
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
3-[(3-ethylthiophen-2-yl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369810
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 102851692
2-chloro-N-[(3-ethylthiophen-2-yl)methyl]furan-3-carboxamide
CID 106687031
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 102851007

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide (CID 102851859) is 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide is CCc1ccsc1CNC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide?
The InChIKey is GLHUSDMVJJJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-2-12-7-8-19-14(12)10-17-15(18)13-5-3-11(9-16)4-6-13/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide?
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide has a molecular weight of 338.27 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 102851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).