2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide

C10H11BrClNOS — CID 63681418

IUPAC2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CBr
InChIInChI=1S/C10H11BrClNOS/c1-2-5-13(10(14)6-11)7-8-3-4-9(12)15-8/h2-4H,1,5-7H2
InChIKeyAPFUIJVQXRBGNP-UHFFFAOYSA-N
MW308.63 g/mol
LogP3.31
Rot. Bonds5

About 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide

2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide (PubChem CID 63681418) has the molecular formula C10H11BrClNOS and a molecular weight of 308.63 g/mol. Its IUPAC name is 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
PubChem CID63681418
Molecular FormulaC10H11BrClNOS
Molecular Weight308.63 g/mol
Exact Mass306.94
IUPAC Name2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CBr
InChIInChI=1S/C10H11BrClNOS/c1-2-5-13(10(14)6-11)7-8-3-4-9(12)15-8/h2-4H,1,5-7H2
InChIKeyAPFUIJVQXRBGNP-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropanoic acid
CID 55049541
N-[(5-chlorothiophen-2-yl)methyl]-2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 119688617
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-prop-2-enylpentanamide
CID 79198711
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-N-prop-2-enylbutanamide
CID 81075391
6-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylhexanamide
CID 54869456
N-[(5-chlorothiophen-2-yl)methyl]-2,2-difluoro-N-prop-2-enylacetamide
CID 103601269
N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 60646090
N-[(5-chlorothiophen-2-yl)methyl]-4-(methylamino)-N-prop-2-enylbutanamide
CID 54869490
5-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934239
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55462086
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 55246582

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide (CID 63681418) is 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CBr.
What is the InChIKey of 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
The InChIKey is APFUIJVQXRBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNOS/c1-2-5-13(10(14)6-11)7-8-3-4-9(12)15-8/h2-4H,1,5-7H2.
What are the key properties of 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide?
2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide has a molecular weight of 308.63 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 63681418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).