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

C13H14ClNO3 — CID 2335924

IUPAC[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H14ClNO3/c1-8-2-5-10(14)6-11(8)15-12(16)7-18-13(17)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16)
InChIKeyKUDKBYQDLXZYQT-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.54
Rot. Bonds4

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

[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2335924) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2335924
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESCc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H14ClNO3/c1-8-2-5-10(14)6-11(8)15-12(16)7-18-13(17)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16)
InChIKeyKUDKBYQDLXZYQT-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(5-chloro-2-methylphenyl)carbamate
CID 310207
N-(5-chloro-2-methylphenyl)-2-methoxyacetamide
CID 795634
[2-(2,6-Dimethylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511118
[2-(3-Chloro-4-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863733
N-(5-chloro-2-methylphenyl)butanamide
CID 835301
N-(5-chloro-2-methylphenyl)-2-ethoxyacetamide
CID 1731788
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(2-Chloroanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3402579
[2-(2-Methylanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3551385
[2-(2,6-Diethylanilino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 5105575
[2-[2-Chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7873222
(2-Anilino-2-oxoethyl) 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 3490954

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2335924) is [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate is Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is KUDKBYQDLXZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8-2-5-10(14)6-11(8)15-12(16)7-18-13(17)9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,15,16).
What are the key properties of [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 267.71 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2335924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).