5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide

C13H11BrClNOS — CID 114295719

IUPAC5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(Cl)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H11BrClNOS/c14-12-7-6-11(18-12)13(17)16-8-10(15)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17)
InChIKeyVPXRAHHQZSUUPI-UHFFFAOYSA-N
MW344.66 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide

5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide (PubChem CID 114295719) has the molecular formula C13H11BrClNOS and a molecular weight of 344.66 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
PubChem CID114295719
Molecular FormulaC13H11BrClNOS
Molecular Weight344.66 g/mol
Exact Mass342.94
IUPAC Name5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(Cl)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C13H11BrClNOS/c14-12-7-6-11(18-12)13(17)16-8-10(15)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17)
InChIKeyVPXRAHHQZSUUPI-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

5-bromo-N-[2-(2,2-diphenylethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 55834440
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-bromo-1-phenylethyl)thiophene-2-carboxamide
CID 114311057
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-2-carboxamide
CID 63523885
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957
5-bromo-N-[2-(2-chloroethoxy)ethyl]thiophene-2-carboxamide
CID 114297571
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide (CID 114295719) is 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide is O=C(NCC(Cl)c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is VPXRAHHQZSUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNOS/c14-12-7-6-11(18-12)13(17)16-8-10(15)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,16,17).
What are the key properties of 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 344.66 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 114295719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).