(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide

C21H26FNO2 — CID 6006158

IUPAC(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide
SMILESCCCCCCC(C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H26FNO2/c1-3-4-5-6-7-16(2)23-21(24)15-13-19-12-14-20(25-19)17-8-10-18(22)11-9-17/h8-16H,3-7H2,1-2H3,(H,23,24)/b15-13+
InChIKeyNYDGMYIWNLIFPB-FYWRMAATSA-N
MW343.44 g/mol
LogP5.57
Rot. Bonds9

About (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide (PubChem CID 6006158) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide
PubChem CID6006158
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide
SMILESCCCCCCC(C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C21H26FNO2/c1-3-4-5-6-7-16(2)23-21(24)15-13-19-12-14-20(25-19)17-8-10-18(22)11-9-17/h8-16H,3-7H2,1-2H3,(H,23,24)/b15-13+
InChIKeyNYDGMYIWNLIFPB-FYWRMAATSA-N
XLogP5.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-heptan-2-yl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 5059755
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
(E)-4-[5-(4-fluorophenyl)furan-2-yl]-N-propylbut-3-en-2-amine
CID 103092831
(E)-3-(4-aminophenyl)-N-heptan-2-ylprop-2-enamide
CID 115342931
(E)-N-butan-2-yl-3-(5-iodofuran-2-yl)prop-2-enamide
CID 47097582
4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
CID 28678237
(E)-3-(4-acetamidophenyl)-N-heptan-2-ylprop-2-enamide
CID 46571095
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 2873345
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
(Z)-4-(heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 139663098
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4660294

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide (CID 6006158) is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide is CCCCCCC(C)NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide?
The InChIKey is NYDGMYIWNLIFPB-FYWRMAATSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-3-4-5-6-7-16(2)23-21(24)15-13-19-12-14-20(25-19)17-8-10-18(22)11-9-17/h8-16H,3-7H2,1-2H3,(H,23,24)/b15-13+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide?
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide has a molecular weight of 343.44 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-N-octan-2-ylprop-2-enamide is sourced from PubChem (CID 6006158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).