[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate

C15H18ClNO3 — CID 4962992

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-13-7-5-11(6-8-13)9-17-14(18)10-20-15(19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyVYDWDNQINUOEBP-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.69
Rot. Bonds5

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 4962992) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
PubChem CID4962992
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-13-7-5-11(6-8-13)9-17-14(18)10-20-15(19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyVYDWDNQINUOEBP-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate (CID 4962992) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is VYDWDNQINUOEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-13-7-5-11(6-8-13)9-17-14(18)10-20-15(19)12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 295.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 4962992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).