[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C16H20ClNO3 — CID 2386731

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO3/c17-13-6-3-7-14(10-13)18-15(19)11-21-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19)
InChIKeyWKAMUVKTSQZGNW-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.79
Rot. Bonds6

About [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2386731) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2386731
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H20ClNO3/c17-13-6-3-7-14(10-13)18-15(19)11-21-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19)
InChIKeyWKAMUVKTSQZGNW-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197048
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580497
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2521687
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 8580413

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2386731) is [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is WKAMUVKTSQZGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-6-3-7-14(10-13)18-15(19)11-21-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 309.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2386731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).