[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate

C13H14ClNO4 — CID 2429777

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H14ClNO4/c1-18-11-5-4-9(14)6-10(11)15-12(16)7-19-13(17)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeySRTGLPFAGOYJMA-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.24
Rot. Bonds5

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2429777) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2429777
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H14ClNO4/c1-18-11-5-4-9(14)6-10(11)15-12(16)7-19-13(17)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeySRTGLPFAGOYJMA-UHFFFAOYSA-N
XLogP2.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Chloro-2-methoxyphenyl)-3-oxobutanamide
CID 98791
6-Chloro-2H-1,4-benzoxazin-3(4H)-one
CID 309259
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
4-[(5-Chloro-2-methoxyphenyl)amino]-4-oxo-2-butenoic acid
CID 1622404
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
CID 22035
(2E)-4-[(5-chloro-2-methoxyphenyl)amino]-4-oxobut-2-enoic acid
CID 711045
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429712
6-Cl-4-Val-D-DIBOA
CID 46183858
N-(3-chlorophenyl)-2-phenoxyacetamide
CID 309613
[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] acetate
CID 2089660
N-(5-chloro-2-methoxyphenyl)-3-ethoxypropanamide
CID 2226242

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2429777) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SRTGLPFAGOYJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-18-11-5-4-9(14)6-10(11)15-12(16)7-19-13(17)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 283.71 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2429777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).