N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide

C12H10Cl2N2OS — CID 113228330

IUPACN-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1N
InChIInChI=1S/C12H10Cl2N2OS/c1-6-2-3-7(4-9(6)15)16-12(17)8-5-10(13)18-11(8)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyWZDJBAQKJIRTGZ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.20
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide

N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 113228330) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID113228330
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC NameN-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1N
InChIInChI=1S/C12H10Cl2N2OS/c1-6-2-3-7(4-9(6)15)16-12(17)8-5-10(13)18-11(8)14/h2-5H,15H2,1H3,(H,16,17)
InChIKeyWZDJBAQKJIRTGZ-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426
N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-(3-amino-4-methylphenyl)-3-fluoropyridine-4-carboxamide
CID 64950847
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide (CID 113228330) is N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is WZDJBAQKJIRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-6-2-3-7(4-9(6)15)16-12(17)8-5-10(13)18-11(8)14/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide?
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 301.20 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 113228330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).