8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide

C17H23FN2O2 — CID 89351391

IUPAC8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
SMILESNC(=O)CCCCCCCNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-15-9-6-5-8-14(15)11-12-17(22)20-13-7-3-1-2-4-10-16(19)21/h5-6,8-9,11-12H,1-4,7,10,13H2,(H2,19,21)(H,20,22)/b12-11+
InChIKeyYMRYQHUXUGUHFH-VAWYXSNFSA-N
MW306.38 g/mol
LogP2.78
Rot. Bonds10

About 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide

8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide (PubChem CID 89351391) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide.

Molecular Properties

Compound Name8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
PubChem CID89351391
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
SMILESNC(=O)CCCCCCCNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C17H23FN2O2/c18-15-9-6-5-8-14(15)11-12-17(22)20-13-7-3-1-2-4-10-16(19)21/h5-6,8-9,11-12H,1-4,7,10,13H2,(H2,19,21)(H,20,22)/b12-11+
InChIKeyYMRYQHUXUGUHFH-VAWYXSNFSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide 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

7-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]heptanoic acid
CID 43240080
(E)-N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide
CID 90264801
N-[3-(dimethylamino)propyl]-3-(2-fluorophenyl)prop-2-enamide;hydrochloride
CID 158649550
(E)-N-(3-cyclohexyloxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 134030048
tert-butyl N-[3-[3-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921699
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
CID 112674420
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
CID 107829734
methyl 6-(3-naphthalen-1-ylprop-2-enoylamino)hexanoate
CID 66958409
(E)-3-(2-fluorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide;dihydrochloride
CID 118480970
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586

Frequently Asked Questions

What is the IUPAC name of 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide?
The IUPAC name of 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide (CID 89351391) is 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide.
What is the SMILES notation for 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide?
The canonical SMILES for 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide is NC(=O)CCCCCCCNC(=O)/C=C/c1ccccc1F.
What is the InChIKey of 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide?
The InChIKey is YMRYQHUXUGUHFH-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-15-9-6-5-8-14(15)11-12-17(22)20-13-7-3-1-2-4-10-16(19)21/h5-6,8-9,11-12H,1-4,7,10,13H2,(H2,19,21)(H,20,22)/b12-11+.
What are the key properties of 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide?
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide has a molecular weight of 306.38 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide is sourced from PubChem (CID 89351391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).