2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide

C13H12ClNOS — CID 146105331

IUPAC2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H12ClNOS/c14-8-13(16)15-9-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyCVVBZWWUXYCBJA-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide

2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide (PubChem CID 146105331) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
PubChem CID146105331
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(-c2cccs2)cc1
InChIInChI=1S/C13H12ClNOS/c14-8-13(16)15-9-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16)
InChIKeyCVVBZWWUXYCBJA-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.27
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

2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
CID 2738305
2-[4-(chloromethyl)phenyl]thiophene
CID 21186166
1-[(4-thiophen-2-ylphenyl)methylcarbamoyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 167917201
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
1-[[(2R)-2-aminobutanoyl]amino]-3-[(4-thiophen-2-ylphenyl)methyl]urea
CID 69142316
2-(4-thiophen-2-ylphenyl)acetaldehyde
CID 87498538
4-thiophen-2-ylbenzoyl chloride
CID 158319353
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide (CID 146105331) is 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide is O=C(CCl)NCc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide?
The InChIKey is CVVBZWWUXYCBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c14-8-13(16)15-9-10-3-5-11(6-4-10)12-2-1-7-17-12/h1-7H,8-9H2,(H,15,16).
What are the key properties of 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide?
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide has a molecular weight of 265.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 146105331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).