N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

C15H18Cl2N2O2 — CID 2542255

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1
InChIInChI=1S/C15H18Cl2N2O2/c1-19(15(21)10-4-2-3-5-10)9-14(20)18-11-6-7-12(16)13(17)8-11/h6-8,10H,2-5,9H2,1H3,(H,18,20)
InChIKeyWKTFDIMMTPUNRE-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.58
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (PubChem CID 2542255) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
PubChem CID2542255
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1
InChIInChI=1S/C15H18Cl2N2O2/c1-19(15(21)10-4-2-3-5-10)9-14(20)18-11-6-7-12(16)13(17)8-11/h6-8,10H,2-5,9H2,1H3,(H,18,20)
InChIKeyWKTFDIMMTPUNRE-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (CID 2542255) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The InChIKey is WKTFDIMMTPUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-19(15(21)10-4-2-3-5-10)9-14(20)18-11-6-7-12(16)13(17)8-11/h6-8,10H,2-5,9H2,1H3,(H,18,20).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 2542255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).