N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide

C7H7Br2NOS — CID 115193942

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
SMILESO=C(Br)NCCc1cc(Br)cs1
InChIInChI=1S/C7H7Br2NOS/c8-5-3-6(12-4-5)1-2-10-7(9)11/h3-4H,1-2H2,(H,10,11)
InChIKeyZYTPWNRIYSBGRK-UHFFFAOYSA-N
MW313.01 g/mol
LogP3.16
Rot. Bonds3

About N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide

N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide (PubChem CID 115193942) has the molecular formula C7H7Br2NOS and a molecular weight of 313.01 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
PubChem CID115193942
Molecular FormulaC7H7Br2NOS
Molecular Weight313.01 g/mol
Exact Mass310.86
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
SMILESO=C(Br)NCCc1cc(Br)cs1
InChIInChI=1S/C7H7Br2NOS/c8-5-3-6(12-4-5)1-2-10-7(9)11/h3-4H,1-2H2,(H,10,11)
InChIKeyZYTPWNRIYSBGRK-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.01
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-bromothiophen-2-yl)ethylamino]-3,3-dimethyl-4-oxobutanoic acid
CID 115164883
3-amino-N-[2-(4-bromothiophen-2-yl)ethyl]-3-methylbutanamide
CID 115155059
4-amino-N-[2-(4-bromothiophen-2-yl)ethyl]benzamide
CID 115161035
2-amino-4-[2-(4-bromothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181152
4-[2-(4-bromothiophen-2-yl)ethylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 115165281
2-(4-bromothiophen-2-yl)ethylhydrazine
CID 105220814
N-[2-(4-bromothiophen-2-yl)ethyl]oxolane-2-carboxamide
CID 110789726
2-[2-(4-bromothiophen-2-yl)ethylamino]butanedioic acid
CID 115144452
N-[2-(4-bromothiophen-2-yl)ethyl]-2-methylpropan-2-amine
CID 62550442
N-[2-(4-bromothiophen-2-yl)ethyl]-6-cyanopyridine-2-carboxamide
CID 115116565
N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 110789741
3-(4-bromothiophen-2-yl)-N'-methylpropanehydrazide
CID 116846376

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide (CID 115193942) is N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide is O=C(Br)NCCc1cc(Br)cs1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide?
The InChIKey is ZYTPWNRIYSBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NOS/c8-5-3-6(12-4-5)1-2-10-7(9)11/h3-4H,1-2H2,(H,10,11).
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide?
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide has a molecular weight of 313.01 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide is sourced from PubChem (CID 115193942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).