3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide

C18H18FN3O2 — CID 145462218

IUPAC3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide
SMILESC/C=C\NC(=O)CC(NC)c1cc(-c2ccc(F)c(C#N)c2)co1
InChIInChI=1S/C18H18FN3O2/c1-3-6-22-18(23)9-16(21-2)17-8-14(11-24-17)12-4-5-15(19)13(7-12)10-20/h3-8,11,16,21H,9H2,1-2H3,(H,22,23)/b6-3-
InChIKeyKBPGIILYZVGQIW-UTCJRWHESA-N
MW327.36 g/mol
LogP3.26
Rot. Bonds6

About 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide

3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide (PubChem CID 145462218) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide.

Molecular Properties

Compound Name3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide
PubChem CID145462218
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide
SMILESC/C=C\NC(=O)CC(NC)c1cc(-c2ccc(F)c(C#N)c2)co1
InChIInChI=1S/C18H18FN3O2/c1-3-6-22-18(23)9-16(21-2)17-8-14(11-24-17)12-4-5-15(19)13(7-12)10-20/h3-8,11,16,21H,9H2,1-2H3,(H,22,23)/b6-3-
InChIKeyKBPGIILYZVGQIW-UTCJRWHESA-N
XLogP3.26
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide?
The IUPAC name of 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide (CID 145462218) is 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide.
What is the SMILES notation for 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide?
The canonical SMILES for 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide is C/C=C\NC(=O)CC(NC)c1cc(-c2ccc(F)c(C#N)c2)co1.
What is the InChIKey of 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide?
The InChIKey is KBPGIILYZVGQIW-UTCJRWHESA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-3-6-22-18(23)9-16(21-2)17-8-14(11-24-17)12-4-5-15(19)13(7-12)10-20/h3-8,11,16,21H,9H2,1-2H3,(H,22,23)/b6-3-.
What are the key properties of 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide?
3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide has a molecular weight of 327.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-cyano-4-fluorophenyl)furan-2-yl]-3-(methylamino)-N-[(Z)-prop-1-enyl]propanamide is sourced from PubChem (CID 145462218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).