[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C15H17Cl2NO4 — CID 3987255

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C15H17Cl2NO4/c16-10-5-6-13(12(17)7-10)21-9-15(20)22-8-14(19)18-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19)
InChIKeyXLXAQPFCTYJTTA-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.97
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 3987255) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID3987255
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCC1
InChIInChI=1S/C15H17Cl2NO4/c16-10-5-6-13(12(17)7-10)21-9-15(20)22-8-14(19)18-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19)
InChIKeyXLXAQPFCTYJTTA-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3970402
[2-(cyclohexylamino)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 4516239
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
N-cyclopentyloxy-2-(2,4-dichlorophenoxy)acetamide
CID 83202778
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732373
[2-(2,4-dichloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 9067618
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 3987255) is [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is XLXAQPFCTYJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c16-10-5-6-13(12(17)7-10)21-9-15(20)22-8-14(19)18-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 346.21 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 3987255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).