2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide

C14H11Br2Cl2NOS — CID 107962168

IUPAC2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2Cl2NOS/c1-7(9-4-3-8(17)5-11(9)18)19(2)14(20)10-6-12(15)21-13(10)16/h3-7H,1-2H3
InChIKeySRBRTPIPEDJTQI-UHFFFAOYSA-N
MW472.03 g/mol
LogP6.41
Rot. Bonds3

About 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide

2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 107962168) has the molecular formula C14H11Br2Cl2NOS and a molecular weight of 472.03 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
PubChem CID107962168
Molecular FormulaC14H11Br2Cl2NOS
Molecular Weight472.03 g/mol
Exact Mass468.83
IUPAC Name2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2Cl2NOS/c1-7(9-4-3-8(17)5-11(9)18)19(2)14(20)10-6-12(15)21-13(10)16/h3-7H,1-2H3
InChIKeySRBRTPIPEDJTQI-UHFFFAOYSA-N
XLogP6.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55820520
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
2,5-dibromo-N-(2,4-dichlorophenyl)thiophene-3-carboxamide
CID 113237204
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide (CID 107962168) is 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is SRBRTPIPEDJTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2Cl2NOS/c1-7(9-4-3-8(17)5-11(9)18)19(2)14(20)10-6-12(15)21-13(10)16/h3-7H,1-2H3.
What are the key properties of 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide?
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 472.03 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 107962168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).