4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide

C14H14BrNOS — CID 102851621

IUPAC4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-10(13-6-7-18-9-13)16-14(17)12-4-2-11(8-15)3-5-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyOZNLAAYGGKRIOK-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.13
Rot. Bonds4

About 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide

4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 102851621) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID102851621
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-10(13-6-7-18-9-13)16-14(17)12-4-2-11(8-15)3-5-12/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyOZNLAAYGGKRIOK-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.13
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-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
CID 102850891
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 81459214
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide (CID 102851621) is 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide is CC(NC(=O)c1ccc(CBr)cc1)c1ccsc1.
What is the InChIKey of 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is OZNLAAYGGKRIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10(13-6-7-18-9-13)16-14(17)12-4-2-11(8-15)3-5-12/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide?
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 324.24 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 102851621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).