[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate

C14H16ClNO5 — CID 8627342

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCC(C)=O
InChIInChI=1S/C14H16ClNO5/c1-9(17)3-6-14(19)21-8-13(18)16-11-7-10(15)4-5-12(11)20-2/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyBOMRDUUFENBQFE-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.20
Rot. Bonds7

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate (PubChem CID 8627342) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
PubChem CID8627342
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CCC(C)=O
InChIInChI=1S/C14H16ClNO5/c1-9(17)3-6-14(19)21-8-13(18)16-11-7-10(15)4-5-12(11)20-2/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyBOMRDUUFENBQFE-UHFFFAOYSA-N
XLogP2.20
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
CID 8625714
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133179
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-methylbut-2-enoate
CID 2567217
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-(4-fluoroanilino)-5-oxopentanoate
CID 17261210
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 41279847
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate (CID 8627342) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate is COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(C)=O.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate?
The InChIKey is BOMRDUUFENBQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-9(17)3-6-14(19)21-8-13(18)16-11-7-10(15)4-5-12(11)20-2/h4-5,7H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate has a molecular weight of 313.74 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 8627342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).