2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide

C8H8Br2ClNOS — CID 107966027

IUPAC2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
SMILESCC(CCl)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2ClNOS/c1-4(3-11)12-8(13)5-2-6(9)14-7(5)10/h2,4H,3H2,1H3,(H,12,13)
InChIKeyXANSQAKRRDRXOT-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.63
Rot. Bonds3

About 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide

2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide (PubChem CID 107966027) has the molecular formula C8H8Br2ClNOS and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
PubChem CID107966027
Molecular FormulaC8H8Br2ClNOS
Molecular Weight361.49 g/mol
Exact Mass358.84
IUPAC Name2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide
SMILESCC(CCl)NC(=O)c1cc(Br)sc1Br
InChIInChI=1S/C8H8Br2ClNOS/c1-4(3-11)12-8(13)5-2-6(9)14-7(5)10/h2,4H,3H2,1H3,(H,12,13)
InChIKeyXANSQAKRRDRXOT-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dibromothiophene-3-carbonyl)amino]pentanoic acid
CID 103932811
N-(1-amino-4-methylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide;hydrochloride
CID 119587933
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
2,5-dibromo-N-[2-methyl-3-(methylamino)propyl]thiophene-3-carboxamide
CID 103806921
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
2,5-dibromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)thiophene-3-carboxamide
CID 114177005
(E)-2-[(2,5-dibromothiophene-3-carbonyl)amino]hex-4-enoic acid
CID 120693306
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
2,5-dibromo-N-[2-(chloromethyl)phenyl]thiophene-3-carboxamide
CID 114021805
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
2,5-dibromo-N-[1-(3-fluoro-4-methylphenyl)ethyl]thiophene-3-carboxamide
CID 107962299

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide (CID 107966027) is 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide is CC(CCl)NC(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide?
The InChIKey is XANSQAKRRDRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2ClNOS/c1-4(3-11)12-8(13)5-2-6(9)14-7(5)10/h2,4H,3H2,1H3,(H,12,13).
What are the key properties of 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide?
2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-chloropropan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 107966027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).