N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide

C11H12BrCl2NOS — CID 106366353

IUPACN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(NC1CCCC1CBr)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12BrCl2NOS/c12-5-6-2-1-3-8(6)15-11(16)7-4-9(13)17-10(7)14/h4,6,8H,1-3,5H2,(H,15,16)
InChIKeyVYZYYASFBUGKFI-UHFFFAOYSA-N
MW357.10 g/mol
LogP4.35
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide

N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 106366353) has the molecular formula C11H12BrCl2NOS and a molecular weight of 357.10 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID106366353
Molecular FormulaC11H12BrCl2NOS
Molecular Weight357.10 g/mol
Exact Mass354.92
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(NC1CCCC1CBr)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12BrCl2NOS/c12-5-6-2-1-3-8(6)15-11(16)7-4-9(13)17-10(7)14/h4,6,8H,1-3,5H2,(H,15,16)
InChIKeyVYZYYASFBUGKFI-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790685
N-(2-bromocycloheptyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966231
N-[2-(bromomethyl)cyclopentyl]-2-chlorobenzamide
CID 106366339
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
N-[2-(bromomethyl)cyclopentyl]-2,4-dihydroxybenzamide
CID 106366292
N-[2-(bromomethyl)cyclopentyl]-3-chloro-2-fluorobenzamide
CID 114179501
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
2,5-dichloro-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-3-carboxamide
CID 107966085
N-[2-(bromomethyl)cyclopentyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106366436

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide (CID 106366353) is N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide is O=C(NC1CCCC1CBr)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is VYZYYASFBUGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NOS/c12-5-6-2-1-3-8(6)15-11(16)7-4-9(13)17-10(7)14/h4,6,8H,1-3,5H2,(H,15,16).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 357.10 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 106366353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).