N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide

C11H13BrClNOS — CID 114313867

IUPACN-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
SMILESO=C(NCC1CCCC1Br)c1sccc1Cl
InChIInChI=1S/C11H13BrClNOS/c12-8-3-1-2-7(8)6-14-11(15)10-9(13)4-5-16-10/h4-5,7-8H,1-3,6H2,(H,14,15)
InChIKeyCUSSVQRBOKUQCX-UHFFFAOYSA-N
MW322.66 g/mol
LogP3.69
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide

N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide (PubChem CID 114313867) has the molecular formula C11H13BrClNOS and a molecular weight of 322.66 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
PubChem CID114313867
Molecular FormulaC11H13BrClNOS
Molecular Weight322.66 g/mol
Exact Mass320.96
IUPAC NameN-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
SMILESO=C(NCC1CCCC1Br)c1sccc1Cl
InChIInChI=1S/C11H13BrClNOS/c12-8-3-1-2-7(8)6-14-11(15)10-9(13)4-5-16-10/h4-5,7-8H,1-3,6H2,(H,14,15)
InChIKeyCUSSVQRBOKUQCX-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 53.69
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-[(3-bromocyclohexyl)methyl]-3-chlorothiophene-2-carboxamide
CID 106133249
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
3-bromo-N-[[2-(chloromethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 114306746
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
5-bromo-N-[(2-bromocyclopentyl)methyl]thiophene-3-carboxamide
CID 107966151
N-[(2-bromocyclopentyl)methyl]-2-(2-chlorophenyl)acetamide
CID 113275396
N-[(2-bromocyclohexyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 114312292
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
N-[(2-bromocyclohexyl)methyl]-2,5-dichlorothiophene-3-carboxamide
CID 107966136
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide (CID 114313867) is N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide is O=C(NCC1CCCC1Br)c1sccc1Cl.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide?
The InChIKey is CUSSVQRBOKUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNOS/c12-8-3-1-2-7(8)6-14-11(15)10-9(13)4-5-16-10/h4-5,7-8H,1-3,6H2,(H,14,15).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide?
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide has a molecular weight of 322.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 114313867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).