methyl 2-(4-chloroanilino)-2-ethylpentanoate

C14H20ClNO2 — CID 114079648

IUPACmethyl 2-(4-chloroanilino)-2-ethylpentanoate
SMILESCCCC(CC)(Nc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C14H20ClNO2/c1-4-10-14(5-2,13(17)18-3)16-12-8-6-11(15)7-9-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyPHHNZFNZPDPRQY-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.87
Rot. Bonds6

About methyl 2-(4-chloroanilino)-2-ethylpentanoate

methyl 2-(4-chloroanilino)-2-ethylpentanoate (PubChem CID 114079648) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 2-(4-chloroanilino)-2-ethylpentanoate.

Molecular Properties

Compound Namemethyl 2-(4-chloroanilino)-2-ethylpentanoate
PubChem CID114079648
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-(4-chloroanilino)-2-ethylpentanoate
SMILESCCCC(CC)(Nc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C14H20ClNO2/c1-4-10-14(5-2,13(17)18-3)16-12-8-6-11(15)7-9-12/h6-9,16H,4-5,10H2,1-3H3
InChIKeyPHHNZFNZPDPRQY-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
methyl 2-ethyl-2-(4-methoxyanilino)hexanoate
CID 63952851
methyl 2-ethyl-2-(4-fluoroanilino)hexanoate
CID 63953657
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
ethyl 2-(4-methoxyanilino)-2-propylpentanoate
CID 60991340
2-(4-methylanilino)-2-propylpentanamide
CID 54889215
2-(4-chloroanilino)-2-propylpentan-1-ol
CID 61049895
methyl 2-(3-fluoro-5-methylanilino)-2-propylpentanoate
CID 79049647
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
methyl 2-(4-methoxyanilino)-2-methylpentanoate
CID 54890065

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloroanilino)-2-ethylpentanoate?
The IUPAC name of methyl 2-(4-chloroanilino)-2-ethylpentanoate (CID 114079648) is methyl 2-(4-chloroanilino)-2-ethylpentanoate.
What is the SMILES notation for methyl 2-(4-chloroanilino)-2-ethylpentanoate?
The canonical SMILES for methyl 2-(4-chloroanilino)-2-ethylpentanoate is CCCC(CC)(Nc1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(4-chloroanilino)-2-ethylpentanoate?
The InChIKey is PHHNZFNZPDPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-10-14(5-2,13(17)18-3)16-12-8-6-11(15)7-9-12/h6-9,16H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-(4-chloroanilino)-2-ethylpentanoate?
methyl 2-(4-chloroanilino)-2-ethylpentanoate has a molecular weight of 269.77 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloroanilino)-2-ethylpentanoate is sourced from PubChem (CID 114079648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).