(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide

C18H18FNO2 — CID 75461687

IUPAC(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide
SMILESC/C(=C/C(=O)N(Cc1ccco1)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FNO2/c1-13(14-4-5-14)11-18(21)20(12-17-3-2-10-22-17)16-8-6-15(19)7-9-16/h2-3,6-11,14H,4-5,12H2,1H3/b13-11-
InChIKeyCDQICSAWELTDNC-QBFSEMIESA-N
MW299.35 g/mol
LogP4.31
Rot. Bonds5

About (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide

(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide (PubChem CID 75461687) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide
PubChem CID75461687
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide
SMILESC/C(=C/C(=O)N(Cc1ccco1)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H18FNO2/c1-13(14-4-5-14)11-18(21)20(12-17-3-2-10-22-17)16-8-6-15(19)7-9-16/h2-3,6-11,14H,4-5,12H2,1H3/b13-11-
InChIKeyCDQICSAWELTDNC-QBFSEMIESA-N
XLogP4.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 53016301
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
1-(2,4-difluorobenzoyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 30992627
N-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603
4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
2-[4-fluoro-N-(furan-2-ylmethyl)anilino]acetic acid
CID 39351607
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
1-[cyclopropyl(furan-2-ylmethyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 62028966
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 121131349
N-(furan-2-ylmethyl)-4-oxo-N-phenylazetidine-2-carboxamide
CID 78596170
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121019

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide?
The IUPAC name of (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide (CID 75461687) is (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide.
What is the SMILES notation for (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide?
The canonical SMILES for (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide is C/C(=C/C(=O)N(Cc1ccco1)c1ccc(F)cc1)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide?
The InChIKey is CDQICSAWELTDNC-QBFSEMIESA-N. The full InChI is InChI=1S/C18H18FNO2/c1-13(14-4-5-14)11-18(21)20(12-17-3-2-10-22-17)16-8-6-15(19)7-9-16/h2-3,6-11,14H,4-5,12H2,1H3/b13-11-.
What are the key properties of (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide?
(Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-N-(4-fluorophenyl)-N-(furan-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 75461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).