4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

C14H14Cl2N2OS — CID 82833096

IUPAC4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-18(5-4-10-3-2-6-20-10)14(19)9-7-11(15)13(17)12(16)8-9/h2-3,6-8H,4-5,17H2,1H3
InChIKeyKYOAZVDTYXNFMO-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.95
Rot. Bonds4

About 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide

4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 82833096) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID82833096
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCN(CCc1cccs1)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2OS/c1-18(5-4-10-3-2-6-20-10)14(19)9-7-11(15)13(17)12(16)8-9/h2-3,6-8H,4-5,17H2,1H3
InChIKeyKYOAZVDTYXNFMO-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.95
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

4-amino-3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79494740
6-amino-3-chloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 79487639
4-chloro-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 79046946
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
N-methyl-4-(methylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 79487638
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
N-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-1H-pyridine-3-carboxamide
CID 79036748

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide (CID 82833096) is 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is CN(CCc1cccs1)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is KYOAZVDTYXNFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-18(5-4-10-3-2-6-20-10)14(19)9-7-11(15)13(17)12(16)8-9/h2-3,6-8H,4-5,17H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide?
4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 329.25 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 82833096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).