N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide

C15H19ClN2O2 — CID 8895033

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-3-18(15(20)11-5-6-11)9-14(19)17-13-8-12(16)7-4-10(13)2/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,17,19)
InChIKeyLSJIRGINQHXTDC-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide (PubChem CID 8895033) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide
PubChem CID8895033
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC1
InChIInChI=1S/C15H19ClN2O2/c1-3-18(15(20)11-5-6-11)9-14(19)17-13-8-12(16)7-4-10(13)2/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,17,19)
InChIKeyLSJIRGINQHXTDC-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide (CID 8895033) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CC1.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is LSJIRGINQHXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-18(15(20)11-5-6-11)9-14(19)17-13-8-12(16)7-4-10(13)2/h4,7-8,11H,3,5-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 8895033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).