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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Related Compounds

N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 534602
2-chloro-N-(((2-methylphenyl)carbamoyl)methyl)-N-propylacetamide
CID 2414087
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 883553
1-[3-(3-Chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 883576
N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
o-Propionotoluidide, 6'-chloro-2-(diethylamino)-, hydrochloride
CID 3060534
N-(5-Chloro-2-methylphenyl)acetamide
CID 80000
N-(5-chloro-2-methylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4779526
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide
CID 4882503
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2950283

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).