5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide

C10H11BrClNOS — CID 107966324

IUPAC5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1(CCl)CCC1)c1csc(Br)c1
InChIInChI=1S/C10H11BrClNOS/c11-8-4-7(5-15-8)9(14)13-10(6-12)2-1-3-10/h4-5H,1-3,6H2,(H,13,14)
InChIKeyMHAOMBLYWREOKT-UHFFFAOYSA-N
MW308.63 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide

5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide (PubChem CID 107966324) has the molecular formula C10H11BrClNOS and a molecular weight of 308.63 g/mol. Its IUPAC name is 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
PubChem CID107966324
Molecular FormulaC10H11BrClNOS
Molecular Weight308.63 g/mol
Exact Mass306.94
IUPAC Name5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
SMILESO=C(NC1(CCl)CCC1)c1csc(Br)c1
InChIInChI=1S/C10H11BrClNOS/c11-8-4-7(5-15-8)9(14)13-10(6-12)2-1-3-10/h4-5H,1-3,6H2,(H,13,14)
InChIKeyMHAOMBLYWREOKT-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.63
LogP ≤ 53.40
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-[1-(hydroxymethyl)cyclopropyl]thiophene-3-carboxamide
CID 115764922
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
5-bromo-N-[(1-methylcyclobutyl)methyl]thiophene-3-carboxamide
CID 103737497
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
3-bromo-N-[1-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 114303411
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2,6-difluorobenzamide
CID 114300674
5-bromo-N-[3-(chloromethyl)pentan-3-yl]thiophene-3-carboxamide
CID 107966069
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
CID 107963717
N-[1-(chloromethyl)cyclohexyl]-4-methoxythiophene-2-carboxamide
CID 113272992
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide (CID 107966324) is 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide is O=C(NC1(CCl)CCC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide?
The InChIKey is MHAOMBLYWREOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNOS/c11-8-4-7(5-15-8)9(14)13-10(6-12)2-1-3-10/h4-5H,1-3,6H2,(H,13,14).
What are the key properties of 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide?
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide has a molecular weight of 308.63 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 107966324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).