2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide

C14H19FN2O — CID 78787752

IUPAC2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-4-17(9-11(2)3)10-14(18)16-13-7-5-6-12(15)8-13/h5-8H,2,4,9-10H2,1,3H3,(H,16,18)
InChIKeyGKBKLPWFONMUBE-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds6

About 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide

2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 78787752) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID78787752
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
SMILESC=C(C)CN(CC)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-4-17(9-11(2)3)10-14(18)16-13-7-5-6-12(15)8-13/h5-8H,2,4,9-10H2,1,3H3,(H,16,18)
InChIKeyGKBKLPWFONMUBE-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 78787772
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-[ethyl(2-methylprop-2-enyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 78787473
N-(3-fluorophenyl)-2-[2-hydroxyethyl(pentyl)amino]acetamide
CID 111120327
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9432878
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 107440293
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide (CID 78787752) is 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide is C=C(C)CN(CC)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is GKBKLPWFONMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-17(9-11(2)3)10-14(18)16-13-7-5-6-12(15)8-13/h5-8H,2,4,9-10H2,1,3H3,(H,16,18).
What are the key properties of 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide?
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 250.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 78787752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).