N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

C15H19ClN2O2 — CID 2670966

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H19ClN2O2/c1-18(15(20)11-4-2-3-5-11)10-14(19)17-13-8-6-12(16)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,17,19)
InChIKeyRWNAOJVBIAXZAE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (PubChem CID 2670966) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
PubChem CID2670966
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCCC1
InChIInChI=1S/C15H19ClN2O2/c1-18(15(20)11-4-2-3-5-11)10-14(19)17-13-8-6-12(16)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,17,19)
InChIKeyRWNAOJVBIAXZAE-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (CID 2670966) is N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The InChIKey is RWNAOJVBIAXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-18(15(20)11-4-2-3-5-11)10-14(19)17-13-8-6-12(16)7-9-13/h6-9,11H,2-5,10H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 2670966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).