(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide

C30H22F2N4O2 — CID 6269441

IUPAC(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2N4O2/c31-23-12-6-21(7-13-23)10-18-29(37)33-26-16-17-27(36-35-25-4-2-1-3-5-25)28(20-26)34-30(38)19-11-22-8-14-24(32)15-9-22/h1-20H,(H,33,37)(H,34,38)/b18-10+,19-11+,36-35+
InChIKeyCKASUWLGXDGEBC-FNWGJVEASA-N
MW508.53 g/mol
LogP7.68
Rot. Bonds8

About (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide (PubChem CID 6269441) has the molecular formula C30H22F2N4O2 and a molecular weight of 508.53 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
PubChem CID6269441
Molecular FormulaC30H22F2N4O2
Molecular Weight508.53 g/mol
Exact Mass508.17
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C30H22F2N4O2/c31-23-12-6-21(7-13-23)10-18-29(37)33-26-16-17-27(36-35-25-4-2-1-3-5-25)28(20-26)34-30(38)19-11-22-8-14-24(32)15-9-22/h1-20H,(H,33,37)(H,34,38)/b18-10+,19-11+,36-35+
InChIKeyCKASUWLGXDGEBC-FNWGJVEASA-N
XLogP7.68
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.53
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-bromophenyl)-N-[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 6282998
3-(3-nitrophenyl)-N-[3-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 4192705
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
(E)-N-dibenzofuran-2-yl-3-(4-fluorophenyl)prop-2-enamide
CID 16552380
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 56507958
3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
CID 82034725
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide (CID 6269441) is (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?
The InChIKey is CKASUWLGXDGEBC-FNWGJVEASA-N. The full InChI is InChI=1S/C30H22F2N4O2/c31-23-12-6-21(7-13-23)10-18-29(37)33-26-16-17-27(36-35-25-4-2-1-3-5-25)28(20-26)34-30(38)19-11-22-8-14-24(32)15-9-22/h1-20H,(H,33,37)(H,34,38)/b18-10+,19-11+,36-35+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide has a molecular weight of 508.53 g/mol, XLogP of 7.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-phenyldiazenylphenyl]prop-2-enamide is sourced from PubChem (CID 6269441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).