N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide

C12H15FN2O — CID 115745242

IUPACN-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16)
InChIKeyKVVAQFMXCMKORF-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.93
Rot. Bonds5

About N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide

N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide (PubChem CID 115745242) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
PubChem CID115745242
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
SMILESC=C(C)CNCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16)
InChIKeyKVVAQFMXCMKORF-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745377
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
N-(3-fluorophenyl)-2-(2-prop-2-enylsulfanylethylamino)acetamide
CID 114187533
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
CID 114093423
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
CID 49464511
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide (CID 115745242) is N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide is C=C(C)CNCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide?
The InChIKey is KVVAQFMXCMKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9(2)7-14-8-12(16)15-11-5-3-4-10(13)6-11/h3-6,14H,1,7-8H2,2H3,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide?
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide has a molecular weight of 222.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide is sourced from PubChem (CID 115745242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).