1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide

C12H14ClFN2O — CID 54925189

IUPAC1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)ccc2F)CCCC1
InChIInChI=1S/C12H14ClFN2O/c13-8-3-4-9(14)10(7-8)16-11(17)12(15)5-1-2-6-12/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyITRMLCJNEBUHIH-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.69
Rot. Bonds2

About 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide

1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 54925189) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID54925189
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2cc(Cl)ccc2F)CCCC1
InChIInChI=1S/C12H14ClFN2O/c13-8-3-4-9(14)10(7-8)16-11(17)12(15)5-1-2-6-12/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyITRMLCJNEBUHIH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide (CID 54925189) is 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2cc(Cl)ccc2F)CCCC1.
What is the InChIKey of 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is ITRMLCJNEBUHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-3-4-9(14)10(7-8)16-11(17)12(15)5-1-2-6-12/h3-4,7H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide?
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 54925189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).