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

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

N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
CID 55773408
O-ethyl N-(5-chloro-2-pyridinyl)carbamothioate
CID 110182254
ethyl (3R,4R)-1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)cyclohexa-1,5-dien-1-yl]carbamoyl]pyrrolidine-3-carboxylate
CID 70320008
N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
CID 153335046
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
cis-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7777965
trans-[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777961
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
CID 140862093

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).