(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide

C17H22FNO — CID 100850116

IUPAC(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide
SMILESC/C(=C\C(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c1-12-4-3-5-16(10-12)19-17(20)11-13(2)14-6-8-15(18)9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3,(H,19,20)/b13-11+/t12-,16-/m1/s1
InChIKeyBGRXYDMSYOMQSG-LXEKJOJESA-N
MW275.37 g/mol
LogP3.92
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide

(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide (PubChem CID 100850116) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide
PubChem CID100850116
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide
SMILESC/C(=C\C(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNO/c1-12-4-3-5-16(10-12)19-17(20)11-13(2)14-6-8-15(18)9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3,(H,19,20)/b13-11+/t12-,16-/m1/s1
InChIKeyBGRXYDMSYOMQSG-LXEKJOJESA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(4-fluorophenyl)but-2-enamide
CID 71884165
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
CID 56797945
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
N-[(3S)-3-methylcyclohexyl]acetamide
CID 143244343
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
3-methyl-N-(3-methylcyclopentyl)but-2-enamide
CID 130171283
4-(4-fluorophenyl)-N-(3-methylcyclohexyl)oxane-4-carboxamide
CID 60582793
ethane;N-(3-methylcyclohexyl)acetamide
CID 156753874
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
N-(3-methylcyclohexyl)-4-(propylamino)benzamide
CID 62169172

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide (CID 100850116) is (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide is C/C(=C\C(=O)N[C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide?
The InChIKey is BGRXYDMSYOMQSG-LXEKJOJESA-N. The full InChI is InChI=1S/C17H22FNO/c1-12-4-3-5-16(10-12)19-17(20)11-13(2)14-6-8-15(18)9-7-14/h6-9,11-12,16H,3-5,10H2,1-2H3,(H,19,20)/b13-11+/t12-,16-/m1/s1.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide has a molecular weight of 275.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(1R,3R)-3-methylcyclohexyl]but-2-enamide is sourced from PubChem (CID 100850116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).