ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate

C14H16ClFN2O3 — CID 68893767

IUPACethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(F)CC1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H16ClFN2O3/c1-2-21-14(20)11-6-9(16)5-10(11)13(19)18-12-4-3-8(15)7-17-12/h3-4,7,9-11H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyLHSUBCMSMWPCFZ-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.60
Rot. Bonds4

About ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate

ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate (PubChem CID 68893767) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
PubChem CID68893767
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Nameethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(F)CC1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H16ClFN2O3/c1-2-21-14(20)11-6-9(16)5-10(11)13(19)18-12-4-3-8(15)7-17-12/h3-4,7,9-11H,2,5-6H2,1H3,(H,17,18,19)
InChIKeyLHSUBCMSMWPCFZ-UHFFFAOYSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate (CID 68893767) is ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate is CCOC(=O)C1CC(F)CC1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate?
The InChIKey is LHSUBCMSMWPCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-2-21-14(20)11-6-9(16)5-10(11)13(19)18-12-4-3-8(15)7-17-12/h3-4,7,9-11H,2,5-6H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate?
ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate has a molecular weight of 314.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 68893767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).