(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide

C13H16FNO — CID 142913478

IUPAC(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
SMILESCc1ccc(NC(=O)/C=C/C(C)C)cc1F
InChIInChI=1S/C13H16FNO/c1-9(2)4-7-13(16)15-11-6-5-10(3)12(14)8-11/h4-9H,1-3H3,(H,15,16)/b7-4+
InChIKeyRSDBBOCRMHNGTB-QPJJXVBHSA-N
MW221.28 g/mol
LogP3.28
Rot. Bonds3

About (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide

(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide (PubChem CID 142913478) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
PubChem CID142913478
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide
SMILESCc1ccc(NC(=O)/C=C/C(C)C)cc1F
InChIInChI=1S/C13H16FNO/c1-9(2)4-7-13(16)15-11-6-5-10(3)12(14)8-11/h4-9H,1-3H3,(H,15,16)/b7-4+
InChIKeyRSDBBOCRMHNGTB-QPJJXVBHSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
(2E)-N-(3-fluoro-4-methylphenyl)-2-hydroxyiminoacetamide
CID 71492732
(E)-N-(3-fluoro-4-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9216038
N-(3-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide
CID 84925586
(E)-4-methyl-N-pyridin-4-ylpent-2-enamide
CID 21135733
N-(3-fluoro-4-methylphenyl)-N'-propan-2-yloxamide
CID 7585173
(E)-4-methyl-N-[3-(trifluoromethyl)phenyl]pent-2-enamide
CID 127125729
methyl 4-[(E)-3-(3-fluoro-4-methylanilino)-3-oxoprop-1-enyl]benzoate
CID 26710628
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
2-(4-acetamidoanilino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 17396649

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide?
The IUPAC name of (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide (CID 142913478) is (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide is Cc1ccc(NC(=O)/C=C/C(C)C)cc1F.
What is the InChIKey of (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide?
The InChIKey is RSDBBOCRMHNGTB-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)4-7-13(16)15-11-6-5-10(3)12(14)8-11/h4-9H,1-3H3,(H,15,16)/b7-4+.
What are the key properties of (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide?
(E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide has a molecular weight of 221.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-fluoro-4-methylphenyl)-4-methylpent-2-enamide is sourced from PubChem (CID 142913478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).