N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide

C13H11BrClNOS — CID 54900213

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
SMILESO=C(NCc1ccc(Br)s1)C(Cl)c1ccccc1
InChIInChI=1S/C13H11BrClNOS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8H2,(H,16,17)
InChIKeyWZVZHMOLORWMCO-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.11
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide

N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide (PubChem CID 54900213) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
PubChem CID54900213
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide
SMILESO=C(NCc1ccc(Br)s1)C(Cl)c1ccccc1
InChIInChI=1S/C13H11BrClNOS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8H2,(H,16,17)
InChIKeyWZVZHMOLORWMCO-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.66
LogP ≤ 54.11
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

(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylbutanamide
CID 61165377
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 32776156
1-[(5-bromothiophen-2-yl)methyl]-3-(3-hydroxy-2-phenylpropyl)-2-methylguanidine
CID 109409676
2-chloro-2-phenyl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384564

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide (CID 54900213) is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide is O=C(NCc1ccc(Br)s1)C(Cl)c1ccccc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide?
The InChIKey is WZVZHMOLORWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c14-11-7-6-10(18-11)8-16-13(17)12(15)9-4-2-1-3-5-9/h1-7,12H,8H2,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide has a molecular weight of 344.66 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2-phenylacetamide is sourced from PubChem (CID 54900213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).