4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C13H13ClN2OS — CID 43527196

IUPAC4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3
InChIKeyQVLACBWCVOCVIU-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.26
Rot. Bonds3

About 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide

4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 43527196) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID43527196
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H13ClN2OS/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3
InChIKeyQVLACBWCVOCVIU-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
6-amino-N-methyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 61095599
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
4-bromo-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 47435985
4-fluoro-2-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 103829573
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 82833096
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
2-chloro-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 62945920
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 43527196) is 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is QVLACBWCVOCVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-16(8-10-3-2-6-18-10)13(17)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3.
What are the key properties of 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 280.78 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 43527196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).