ethyl 2-(3,4-dichloroanilino)pentanoate

C13H17Cl2NO2 — CID 83037604

IUPACethyl 2-(3,4-dichloroanilino)pentanoate
SMILESCCCC(Nc1ccc(Cl)c(Cl)c1)C(=O)OCC
InChIInChI=1S/C13H17Cl2NO2/c1-3-5-12(13(17)18-4-2)16-9-6-7-10(14)11(15)8-9/h6-8,12,16H,3-5H2,1-2H3
InChIKeyLXPNLHULXJFKOG-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.14
Rot. Bonds6

About ethyl 2-(3,4-dichloroanilino)pentanoate

ethyl 2-(3,4-dichloroanilino)pentanoate (PubChem CID 83037604) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is ethyl 2-(3,4-dichloroanilino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichloroanilino)pentanoate
PubChem CID83037604
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Nameethyl 2-(3,4-dichloroanilino)pentanoate
SMILESCCCC(Nc1ccc(Cl)c(Cl)c1)C(=O)OCC
InChIInChI=1S/C13H17Cl2NO2/c1-3-5-12(13(17)18-4-2)16-9-6-7-10(14)11(15)8-9/h6-8,12,16H,3-5H2,1-2H3
InChIKeyLXPNLHULXJFKOG-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-methoxy-3-methylanilino)pentanoate
CID 79040257
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
methyl (2S,3S)-2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]-3-methylpentanoate;methyl 2-[[(2S)-2-(3,4-dichloroanilino)propanoyl]amino]pentanoate
CID 67579943
ethyl 2-(3-ethynylanilino)pentanoate
CID 79040775
ethyl 2-(3,4-dichlorophenyl)sulfanylpentanoate
CID 83038097
(3,4-dichlorophenyl) 2-methylpentanoate
CID 91695915
(2R)-4-amino-2-(3,4-dichloroanilino)-4-oxobutanoic acid
CID 70492579
1-(3,4-dichlorophenyl)-3-[(2S)-pentan-2-yl]urea
CID 41098235
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
2-[[2-[(3,4-dichlorophenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 126563751
ethyl 2-(4-methoxyanilino)hexanoate
CID 61352956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichloroanilino)pentanoate?
The IUPAC name of ethyl 2-(3,4-dichloroanilino)pentanoate (CID 83037604) is ethyl 2-(3,4-dichloroanilino)pentanoate.
What is the SMILES notation for ethyl 2-(3,4-dichloroanilino)pentanoate?
The canonical SMILES for ethyl 2-(3,4-dichloroanilino)pentanoate is CCCC(Nc1ccc(Cl)c(Cl)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3,4-dichloroanilino)pentanoate?
The InChIKey is LXPNLHULXJFKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-5-12(13(17)18-4-2)16-9-6-7-10(14)11(15)8-9/h6-8,12,16H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(3,4-dichloroanilino)pentanoate?
ethyl 2-(3,4-dichloroanilino)pentanoate has a molecular weight of 290.19 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichloroanilino)pentanoate is sourced from PubChem (CID 83037604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).