N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide

C12H14ClFN2O — CID 63251463

IUPACN-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
SMILESNC1CCCC1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-6-7(14)4-5-8(9)12(17)16-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H,16,17)
InChIKeySEDMZKNXCDULMA-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.09
Rot. Bonds2

About N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide

N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide (PubChem CID 63251463) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
PubChem CID63251463
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide
SMILESNC1CCCC1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-6-7(14)4-5-8(9)12(17)16-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H,16,17)
InChIKeySEDMZKNXCDULMA-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
N-(2-aminocyclopentyl)-2-chlorobenzamide
CID 63251263
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
N-(2-aminocyclopentyl)-2,4-dihydroxybenzamide
CID 63251225
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
2-bromo-N-(2-chlorocyclopentyl)-4-fluorobenzamide
CID 106444049
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
N-[2-(chloromethyl)cyclopentyl]-2,5-difluorobenzamide
CID 106365784

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide?
The IUPAC name of N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide (CID 63251463) is N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide is NC1CCCC1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide?
The InChIKey is SEDMZKNXCDULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-6-7(14)4-5-8(9)12(17)16-11-3-1-2-10(11)15/h4-6,10-11H,1-3,15H2,(H,16,17).
What are the key properties of N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide?
N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide has a molecular weight of 256.71 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 63251463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).