2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride

C13H19ClFN3O2 — CID 119501890

IUPAC2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CNC(=O)Cc1cccc(F)c1.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-15-5-6-16-13(19)9-17-12(18)8-10-3-2-4-11(14)7-10;/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyPQBJWODJNAPOLI-UHFFFAOYSA-N
MW303.76 g/mol
LogP0.24
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride

2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 119501890) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
PubChem CID119501890
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.76 g/mol
Exact Mass303.11
IUPAC Name2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CNC(=O)Cc1cccc(F)c1.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-15-5-6-16-13(19)9-17-12(18)8-10-3-2-4-11(14)7-10;/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyPQBJWODJNAPOLI-UHFFFAOYSA-N
XLogP0.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119506773
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-2-hydroxy-2-phenylacetamide
CID 111432590
N-[2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119607062
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride (CID 119501890) is 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride is CNCCNC(=O)CNC(=O)Cc1cccc(F)c1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is PQBJWODJNAPOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c1-15-5-6-16-13(19)9-17-12(18)8-10-3-2-4-11(14)7-10;/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride?
2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 303.76 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 119501890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).