(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one

C24H21F2NO — CID 71573968

IUPAC(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C24H21F2NO/c1-18(28)6-11-21-4-2-3-5-24(21)27(16-19-7-12-22(25)13-8-19)17-20-9-14-23(26)15-10-20/h2-15H,16-17H2,1H3/b11-6+
InChIKeyJXNVMMXAARWDBL-IZZDOVSWSA-N
MW377.43 g/mol
LogP5.77
Rot. Bonds7

About (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one

(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one (PubChem CID 71573968) has the molecular formula C24H21F2NO and a molecular weight of 377.43 g/mol. Its IUPAC name is (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one
PubChem CID71573968
Molecular FormulaC24H21F2NO
Molecular Weight377.43 g/mol
Exact Mass377.16
IUPAC Name(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one
SMILESCC(=O)/C=C/c1ccccc1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C24H21F2NO/c1-18(28)6-11-21-4-2-3-5-24(21)27(16-19-7-12-22(25)13-8-19)17-20-9-14-23(26)15-10-20/h2-15H,16-17H2,1H3/b11-6+
InChIKeyJXNVMMXAARWDBL-IZZDOVSWSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.43
LogP ≤ 55.77
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one?
The IUPAC name of (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one (CID 71573968) is (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one?
The canonical SMILES for (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one is CC(=O)/C=C/c1ccccc1N(Cc1ccc(F)cc1)Cc1ccc(F)cc1.
What is the InChIKey of (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one?
The InChIKey is JXNVMMXAARWDBL-IZZDOVSWSA-N. The full InChI is InChI=1S/C24H21F2NO/c1-18(28)6-11-21-4-2-3-5-24(21)27(16-19-7-12-22(25)13-8-19)17-20-9-14-23(26)15-10-20/h2-15H,16-17H2,1H3/b11-6+.
What are the key properties of (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one?
(E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one has a molecular weight of 377.43 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[bis[(4-fluorophenyl)methyl]amino]phenyl]but-3-en-2-one is sourced from PubChem (CID 71573968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).