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

C13H18ClFN2O2 — CID 120653969

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2/c1-3-16-9(2)7-17-13(18)8-19-10-4-5-12(15)11(14)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyPBUFMLWVADJPQJ-SECBINFHSA-N
MW288.75 g/mol
LogP1.97
Rot. Bonds7

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

2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide (PubChem CID 120653969) has the molecular formula C13H18ClFN2O2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
PubChem CID120653969
Molecular FormulaC13H18ClFN2O2
Molecular Weight288.75 g/mol
Exact Mass288.10
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
SMILESCCN[C@H](C)CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H18ClFN2O2/c1-3-16-9(2)7-17-13(18)8-19-10-4-5-12(15)11(14)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyPBUFMLWVADJPQJ-SECBINFHSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120653226
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
N-[(2R)-2-(ethylamino)propyl]-2-(4-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 120654572
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide (CID 120653969) is 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide is CCN[C@H](C)CNC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide?
The InChIKey is PBUFMLWVADJPQJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18ClFN2O2/c1-3-16-9(2)7-17-13(18)8-19-10-4-5-12(15)11(14)6-10/h4-6,9,16H,3,7-8H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide has a molecular weight of 288.75 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide is sourced from PubChem (CID 120653969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).