[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate

C14H15Cl2NO3 — CID 2355464

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(13(10)16)17-12(18)8-20-14(19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,17,18)
InChIKeyDJGUAMJFIVLXKM-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.67
Rot. Bonds4

About [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 2355464) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID2355464
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(13(10)16)17-12(18)8-20-14(19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,17,18)
InChIKeyDJGUAMJFIVLXKM-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
N-(2,3-Dichlorophenyl)tetrahydro-2-furancarboxamide
CID 3155144
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
[2-(2-Chloroanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3402579
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
[1-(3-Chloroanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 3650521
N-(2,3-dichlorophenyl)cyclopentanecarboxamide
CID 844456
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 2432103
[2-(3-Chloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717410
[2-(3-Chloro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2094205

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 2355464) is [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is DJGUAMJFIVLXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-6-3-7-11(13(10)16)17-12(18)8-20-14(19)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,17,18).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 2355464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).