2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide

C9H11BrClNOS — CID 107903709

IUPAC2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESCC(Br)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNOS/c1-5(10)9(13)12-6(2)7-3-4-8(11)14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyCQVYXANYDDDFJX-UHFFFAOYSA-N
MW296.62 g/mol
LogP3.36
Rot. Bonds3

About 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide

2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide (PubChem CID 107903709) has the molecular formula C9H11BrClNOS and a molecular weight of 296.62 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
PubChem CID107903709
Molecular FormulaC9H11BrClNOS
Molecular Weight296.62 g/mol
Exact Mass294.94
IUPAC Name2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
SMILESCC(Br)C(=O)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C9H11BrClNOS/c1-5(10)9(13)12-6(2)7-3-4-8(11)14-7/h3-6H,1-2H3,(H,12,13)
InChIKeyCQVYXANYDDDFJX-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.62
LogP ≤ 53.36
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

N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-hydroxyimino-2-methylpropanamide
CID 76925998
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylsulfanylpropanamide
CID 46419430
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-enamide
CID 112726739
(2S)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 38322913
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
1-butan-2-yl-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17217672
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
(Z)-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpent-2-enamide
CID 47028293

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide (CID 107903709) is 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide is CC(Br)C(=O)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
The InChIKey is CQVYXANYDDDFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNOS/c1-5(10)9(13)12-6(2)7-3-4-8(11)14-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide?
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide has a molecular weight of 296.62 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 107903709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).