3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide

C13H12ClNOS — CID 151471059

IUPAC3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(CCl)c2)c1
InChIInChI=1S/C13H12ClNOS/c1-9-5-12(17-8-9)15-13(16)11-4-2-3-10(6-11)7-14/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyPKMANBKIBNCJDC-UHFFFAOYSA-N
MW265.77 g/mol
LogP4.05
Rot. Bonds3

About 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide

3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide (PubChem CID 151471059) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide
PubChem CID151471059
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(CCl)c2)c1
InChIInChI=1S/C13H12ClNOS/c1-9-5-12(17-8-9)15-13(16)11-4-2-3-10(6-11)7-14/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyPKMANBKIBNCJDC-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 54.05
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

3-(chloromethyl)-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 43333549
N-(3-acetylphenyl)-3-(chloromethyl)benzamide
CID 43346840
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552
N-(4-bromo-3,5-dimethylphenyl)-3-(chloromethyl)benzamide
CID 107573025
3-(chloromethyl)-N-(4-hydroxyphenyl)benzamide
CID 43477757
3-(chloromethyl)-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 83078751
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
methyl 3-[[3-(chloromethyl)benzoyl]amino]benzoate
CID 43346811
N-(2-bromo-3-chlorophenyl)-3-(chloromethyl)benzamide
CID 103478723
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide (CID 151471059) is 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(CCl)c2)c1.
What is the InChIKey of 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide?
The InChIKey is PKMANBKIBNCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-9-5-12(17-8-9)15-13(16)11-4-2-3-10(6-11)7-14/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide?
3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide has a molecular weight of 265.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(4-methylthiophen-2-yl)benzamide is sourced from PubChem (CID 151471059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).