(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium

C24H17ClF2NOU- — CID 155704139

IUPAC(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium
SMILESO=C(N[CH-]/C=C/c1ccccc1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F.[U]
InChIInChI=1S/C24H17ClF2NO.U/c25-19-10-8-18(9-11-19)15-22(21-13-12-20(26)16-23(21)27)24(29)28-14-4-7-17-5-2-1-3-6-17;/h1-16H,(H,28,29);/q-1;/b7-4+,22-15+;
InChIKeyYIWSMMWUCFMIOD-WFFOLKHUSA-N
MW646.88 g/mol
LogP6.15
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium

(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium (PubChem CID 155704139) has the molecular formula C24H17ClF2NOU- and a molecular weight of 646.88 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium
PubChem CID155704139
Molecular FormulaC24H17ClF2NOU-
Molecular Weight646.88 g/mol
Exact Mass646.15
IUPAC Name(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium
SMILESO=C(N[CH-]/C=C/c1ccccc1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F.[U]
InChIInChI=1S/C24H17ClF2NO.U/c25-19-10-8-18(9-11-19)15-22(21-13-12-20(26)16-23(21)27)24(29)28-14-4-7-17-5-2-1-3-6-17;/h1-16H,(H,28,29);/q-1;/b7-4+,22-15+;
InChIKeyYIWSMMWUCFMIOD-WFFOLKHUSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-aminosulfanyl-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-enamide
CID 155177086
(E)-3-[3-chloro-5-[(E)-3-(2-methylprop-2-enoylamino)-3-oxo-2-phenylprop-1-enyl]phenyl]-N-[(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-enoyl]-2-methylprop-2-enamide
CID 135254864
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)prop-2-en-1-ol
CID 155704173
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
N-[(Z)-1-(4-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 53329743
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
N'-(4-chlorobenzoyl)-2,4-difluorobenzohydrazide
CID 8961402
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
bis((E)-2-(4-chlorophenyl)-3-(3-fluorophenyl)prop-2-enoic acid);dibenzyltin
CID 11251476

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium (CID 155704139) is (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium is O=C(N[CH-]/C=C/c1ccccc1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1F.[U].
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium?
The InChIKey is YIWSMMWUCFMIOD-WFFOLKHUSA-N. The full InChI is InChI=1S/C24H17ClF2NO.U/c25-19-10-8-18(9-11-19)15-22(21-13-12-20(26)16-23(21)27)24(29)28-14-4-7-17-5-2-1-3-6-17;/h1-16H,(H,28,29);/q-1;/b7-4+,22-15+;.
What are the key properties of (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium?
(E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium has a molecular weight of 646.88 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-(2,4-difluorophenyl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide;uranium is sourced from PubChem (CID 155704139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).