N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide

C10H13BrClNOS — CID 80666056

IUPACN-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
SMILESCCCN(CCBr)C(=O)c1sccc1Cl
InChIInChI=1S/C10H13BrClNOS/c1-2-5-13(6-4-11)10(14)9-8(12)3-7-15-9/h3,7H,2,4-6H2,1H3
InChIKeyKTRVRLJHMIAYPQ-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.65
Rot. Bonds5

About N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide

N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide (PubChem CID 80666056) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
PubChem CID80666056
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC NameN-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
SMILESCCCN(CCBr)C(=O)c1sccc1Cl
InChIInChI=1S/C10H13BrClNOS/c1-2-5-13(6-4-11)10(14)9-8(12)3-7-15-9/h3,7H,2,4-6H2,1H3
InChIKeyKTRVRLJHMIAYPQ-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2-bromoethyl)-3-chlorothiophene-2-carboxamide
CID 80662656
3-bromo-N,N-dipropylthiophene-2-carboxamide
CID 55028228
N-(2-bromoethyl)-5-chloro-N-propylthiophene-2-carboxamide
CID 80665544
N-(2-bromoethyl)-N-butyl-3-chloro-4-methylthiophene-2-carboxamide
CID 103405901
3-bromo-N-(2-hydroxyethyl)-N-propylthiophene-2-carboxamide
CID 60778343
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzamide
CID 80665958
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
N-(3-amino-2,2-dimethylpropyl)-3-chloro-N-ethylthiophene-2-carboxamide
CID 80641264

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide (CID 80666056) is N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide is CCCN(CCBr)C(=O)c1sccc1Cl.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide?
The InChIKey is KTRVRLJHMIAYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c1-2-5-13(6-4-11)10(14)9-8(12)3-7-15-9/h3,7H,2,4-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide?
N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide has a molecular weight of 310.64 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 80666056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).