2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide

C9H10Br2ClNOS — CID 107965873

IUPAC2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2ClNOS/c1-5(12)4-13(2)9(14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3
InChIKeyGGTQGBVLJQRIAQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.97
Rot. Bonds3

About 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide

2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide (PubChem CID 107965873) has the molecular formula C9H10Br2ClNOS and a molecular weight of 375.51 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
PubChem CID107965873
Molecular FormulaC9H10Br2ClNOS
Molecular Weight375.51 g/mol
Exact Mass372.85
IUPAC Name2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
SMILESCC(Cl)CN(C)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C9H10Br2ClNOS/c1-5(12)4-13(2)9(14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3
InChIKeyGGTQGBVLJQRIAQ-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
3,5-dibromo-N-(2-chloropropyl)-N-methylbenzamide
CID 107974799
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
CID 113237231
N-(3-amino-3-sulfanylidenepropyl)-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107961668
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 107962168
N-(2-chloropropyl)-N,4,5-trimethylthiophene-2-carboxamide
CID 65238122
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
CID 107966027
2,5-dibromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 114021512
1-(2,5-dibromothiophen-3-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428681

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide (CID 107965873) is 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide is CC(Cl)CN(C)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide?
The InChIKey is GGTQGBVLJQRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2ClNOS/c1-5(12)4-13(2)9(14)6-3-7(10)15-8(6)11/h3,5H,4H2,1-2H3.
What are the key properties of 2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide?
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.97, 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-(2-chloropropyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 107965873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).