(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide

C16H16FNO3 — CID 138497011

IUPAC(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide
SMILESC=c1oc(-c2ccc(F)cc2)c(C(=O)NC)/c1=C/CCO
InChIInChI=1S/C16H16FNO3/c1-10-13(4-3-9-19)14(16(20)18-2)15(21-10)11-5-7-12(17)8-6-11/h4-8,19H,1,3,9H2,2H3,(H,18,20)/b13-4+
InChIKeyIPNNXFRXGDGRKQ-YIXHJXPBSA-N
MW289.31 g/mol
LogP1.02
Rot. Bonds4

About (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide

(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide (PubChem CID 138497011) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide.

Molecular Properties

Compound Name(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide
PubChem CID138497011
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide
SMILESC=c1oc(-c2ccc(F)cc2)c(C(=O)NC)/c1=C/CCO
InChIInChI=1S/C16H16FNO3/c1-10-13(4-3-9-19)14(16(20)18-2)15(21-10)11-5-7-12(17)8-6-11/h4-8,19H,1,3,9H2,2H3,(H,18,20)/b13-4+
InChIKeyIPNNXFRXGDGRKQ-YIXHJXPBSA-N
XLogP1.02
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide 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

4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 123309644
ethane;2-(4-fluorophenyl)-N,4,5-trimethyl-1-benzofuran-3-carboxamide
CID 145056932
5-ethyl-2-(4-fluorophenyl)-4-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
CID 69420976
6-ethoxy-2-(4-fluorophenyl)-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 118682835
2-(4-fluorophenyl)-N-methyl-4-oxo-6-phenylpyran-3-carboxamide
CID 22750632
6-(4-fluorophenyl)-N-methyl-4-oxo-2-phenylpyran-3-carboxamide
CID 22750630
2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 67452827
2-(4-fluorophenyl)-6-[3-hydroxypropyl(methylsulfonyl)amino]-N,5-dimethyl-1-benzofuran-3-carboxamide
CID 123179356
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(prop-2-enyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378508
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
2-(4-fluorophenyl)-5-[3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275316
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide?
The IUPAC name of (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide (CID 138497011) is (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide.
What is the SMILES notation for (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide?
The canonical SMILES for (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide is C=c1oc(-c2ccc(F)cc2)c(C(=O)NC)/c1=C/CCO.
What is the InChIKey of (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide?
The InChIKey is IPNNXFRXGDGRKQ-YIXHJXPBSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-13(4-3-9-19)14(16(20)18-2)15(21-10)11-5-7-12(17)8-6-11/h4-8,19H,1,3,9H2,2H3,(H,18,20)/b13-4+.
What are the key properties of (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide?
(4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide has a molecular weight of 289.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-fluorophenyl)-4-(3-hydroxypropylidene)-N-methyl-5-methylidenefuran-3-carboxamide is sourced from PubChem (CID 138497011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).