4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide

C10H12Br2ClNOS — CID 114303626

IUPAC4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2ClNOS/c1-3-10(2,5-13)14-9(15)7-4-6(11)8(12)16-7/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyNTDLNPFSBRJZSM-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.41
Rot. Bonds4

About 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide

4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide (PubChem CID 114303626) has the molecular formula C10H12Br2ClNOS and a molecular weight of 389.54 g/mol. Its IUPAC name is 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide
PubChem CID114303626
Molecular FormulaC10H12Br2ClNOS
Molecular Weight389.54 g/mol
Exact Mass386.87
IUPAC Name4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide
SMILESCCC(C)(CCl)NC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H12Br2ClNOS/c1-3-10(2,5-13)14-9(15)7-4-6(11)8(12)16-7/h4H,3,5H2,1-2H3,(H,14,15)
InChIKeyNTDLNPFSBRJZSM-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.41
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

4,5-dibromo-N-(1-bromo-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 106168914
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylthiophene-2-carboxamide
CID 113356537
3-bromo-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 114303771
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117550
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N-(1-bromo-3-methylpentan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 114153197
2,4-dichloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303802
4-bromo-N-(2-methylbutan-2-yl)-5-propylthiophene-2-carboxamide
CID 17374379
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide (CID 114303626) is 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide is CCC(C)(CCl)NC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide?
The InChIKey is NTDLNPFSBRJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2ClNOS/c1-3-10(2,5-13)14-9(15)7-4-6(11)8(12)16-7/h4H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide?
4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(1-chloro-2-methylbutan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 114303626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).