2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide

C12H16ClFN2O2 — CID 119429515

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(14)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyNYLQEASVQGQPII-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.58
Rot. Bonds7

About 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide

2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide (PubChem CID 119429515) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
PubChem CID119429515
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(14)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyNYLQEASVQGQPII-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(2-chloro-4-fluorophenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636624
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide (CID 119429515) is 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is NYLQEASVQGQPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-11-4-3-9(14)7-10(11)13/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 274.72 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119429515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).