2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide

C14H13ClN2O2S — CID 2774319

IUPAC2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClN2O2S/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)
InChIKeyKNLGVHBPSJMLMS-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.86
Rot. Bonds5

About 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide

2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2774319) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2774319
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(CCl)Nc1ccccc1C(=O)NCc1cccs1
InChIInChI=1S/C14H13ClN2O2S/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)
InChIKeyKNLGVHBPSJMLMS-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyanoacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 168521320
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-(2,2-dicyanoethenylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 168542516
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-fluoro-N-[2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 3156882
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
2-chloro-N-[2-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111259667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 2774319) is 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide is O=C(CCl)Nc1ccccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KNLGVHBPSJMLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 308.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2774319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).