2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide

C14H18Cl2N2O2 — CID 975342

IUPAC2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCN1CCCC1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-3-4-13(12(16)9-11)20-10-14(19)17-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10H2,(H,17,19)
InChIKeyKBIAZJRKTHYIDX-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 975342) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID975342
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCN1CCCC1
InChIInChI=1S/C14H18Cl2N2O2/c15-11-3-4-13(12(16)9-11)20-10-14(19)17-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10H2,(H,17,19)
InChIKeyKBIAZJRKTHYIDX-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8798727
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-(3-aminooxypropyl)-2-(2,4-dichlorophenoxy)acetamide
CID 39401573
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 975342) is 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCN1CCCC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is KBIAZJRKTHYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-3-4-13(12(16)9-11)20-10-14(19)17-5-8-18-6-1-2-7-18/h3-4,9H,1-2,5-8,10H2,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 317.22 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).