(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide

C14H16FNO — CID 3033185

IUPAC(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(\C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-
InChIKeyMJYSWKKWNFPKJU-KTKRTIGZSA-N
MW233.29 g/mol
LogP2.90
Rot. Bonds3

About (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide

(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide (PubChem CID 3033185) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
PubChem CID3033185
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
SMILESC/C(C(=O)NC1CC1)=C(\C)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-
InChIKeyMJYSWKKWNFPKJU-KTKRTIGZSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-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)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
CID 90678958
(Z)-3-(4-fluorophenyl)-2-methylbut-2-enoic acid
CID 91998911
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 7478290
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 6998373
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679
2-(cyclopropylamino)-N-(4-fluorophenyl)-2-sulfanylideneacetamide
CID 10130948
N-cyclopropyl-2-(4-fluorophenyl)-2-hydroxyacetamide
CID 82126665
4-(4-fluorophenyl)-N-[1-[4-(4-fluorophenyl)-2,4-dioxobutanoyl]piperidin-4-yl]-2,4-dioxobutanamide
CID 44577620
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691

Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide (CID 3033185) is (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide is C/C(C(=O)NC1CC1)=C(\C)c1ccc(F)cc1.
What is the InChIKey of (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide?
The InChIKey is MJYSWKKWNFPKJU-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9-.
What are the key properties of (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide?
(Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide has a molecular weight of 233.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide is sourced from PubChem (CID 3033185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).