(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide

C18H18F2N2O — CID 5335738

IUPAC(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O/c1-13(21-11-14-2-6-16(19)7-3-14)10-18(23)22-12-15-4-8-17(20)9-5-15/h2-10,21H,11-12H2,1H3,(H,22,23)/b13-10-
InChIKeyRVVXPIGHIMJKOP-RAXLEYEMSA-N
MW316.35 g/mol
LogP3.27
Rot. Bonds6

About (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide

(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide (PubChem CID 5335738) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide
PubChem CID5335738
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide
SMILESC/C(=C/C(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H18F2N2O/c1-13(21-11-14-2-6-16(19)7-3-14)10-18(23)22-12-15-4-8-17(20)9-5-15/h2-10,21H,11-12H2,1H3,(H,22,23)/b13-10-
InChIKeyRVVXPIGHIMJKOP-RAXLEYEMSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide?
The IUPAC name of (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide (CID 5335738) is (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide.
What is the SMILES notation for (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide?
The canonical SMILES for (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide is C/C(=C/C(=O)NCc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide?
The InChIKey is RVVXPIGHIMJKOP-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-13(21-11-14-2-6-16(19)7-3-14)10-18(23)22-12-15-4-8-17(20)9-5-15/h2-10,21H,11-12H2,1H3,(H,22,23)/b13-10-.
What are the key properties of (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide?
(Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide has a molecular weight of 316.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4-fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]but-2-enamide is sourced from PubChem (CID 5335738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).