N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide

C15H21FN2O — CID 134031279

IUPACN-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1cc(F)ccc1C
InChIInChI=1S/C15H21FN2O/c1-5-18(10-11(2)3)15(19)9-17-14-8-13(16)7-6-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyBNNUILGDCHUYEH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 134031279) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
PubChem CID134031279
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1cc(F)ccc1C
InChIInChI=1S/C15H21FN2O/c1-5-18(10-11(2)3)15(19)9-17-14-8-13(16)7-6-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyBNNUILGDCHUYEH-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.97
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-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55439320
2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55437543
N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
CID 60679321
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
(Z)-4-(5-fluoro-2-methylanilino)-3-methylbut-2-enoic acid
CID 103235726
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
CID 115593557
N-(2-ethoxyphenyl)-2-(5-fluoro-2-methylanilino)acetamide
CID 2516932
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 47064079
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
2-(3-cyclopentyloxyanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55626488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide (CID 134031279) is N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CNc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is BNNUILGDCHUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-5-18(10-11(2)3)15(19)9-17-14-8-13(16)7-6-12(14)4/h6-8,17H,2,5,9-10H2,1,3-4H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 264.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 134031279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).