[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate

C24H18ClNO4 — CID 59832803

IUPAC[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(Cl)cc2)c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C24H18ClNO4/c1-3-23(27)29-21-13-9-19(10-14-21)26(18-7-5-17(25)6-8-18)20-11-15-22(16-12-20)30-24(28)4-2/h3-16H,1-2H2
InChIKeySRBQULFWEJLEPZ-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.99
Rot. Bonds7

About [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate

[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate (PubChem CID 59832803) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
PubChem CID59832803
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(N(c2ccc(Cl)cc2)c2ccc(OC(=O)C=C)cc2)cc1
InChIInChI=1S/C24H18ClNO4/c1-3-23(27)29-21-13-9-19(10-14-21)26(18-7-5-17(25)6-8-18)20-11-15-22(16-12-20)30-24(28)4-2/h3-16H,1-2H2
InChIKeySRBQULFWEJLEPZ-UHFFFAOYSA-N
XLogP5.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-chloro-N-(3-prop-2-enoyloxyphenyl)anilino)phenyl] prop-2-enoate
CID 59832753
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[3-(4-chloro-N-(3-methoxyphenyl)anilino)phenyl] prop-2-enoate
CID 163940283
[4-(4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl] prop-2-enoate
CID 58807715
[4-[4-[N-[3,5-bis(N-phenylanilino)phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520163
[4-[4-[N-[2-chloro-4-[3-chloro-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 58520199
[4-(N-(4-benzylphenyl)anilino)phenyl] prop-2-enoate
CID 89016777
[6-[4-(N-phenylanilino)-N-(6-prop-2-enoyloxynaphthalen-2-yl)anilino]naphthalen-2-yl] prop-2-enoate
CID 58520027
[4-[1-[4-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]-N-[4-[1-(4-prop-2-enoyloxyphenyl)cyclohexyl]phenyl]anilino]phenyl]cyclohexyl]phenyl] prop-2-enoate
CID 59832713
[4-[4-[N-methyl-4-(4-prop-2-enoyloxyphenyl)anilino]phenyl]phenyl] prop-2-enoate
CID 22089909
[4-(4-methyl-N-[4-[[4-(4-methyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]methoxymethyl]phenyl]anilino)phenyl] prop-2-enoate
CID 22089867

Frequently Asked Questions

What is the IUPAC name of [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate?
The IUPAC name of [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate (CID 59832803) is [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate.
What is the SMILES notation for [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate?
The canonical SMILES for [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(N(c2ccc(Cl)cc2)c2ccc(OC(=O)C=C)cc2)cc1.
What is the InChIKey of [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate?
The InChIKey is SRBQULFWEJLEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-3-23(27)29-21-13-9-19(10-14-21)26(18-7-5-17(25)6-8-18)20-11-15-22(16-12-20)30-24(28)4-2/h3-16H,1-2H2.
What are the key properties of [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate?
[4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate has a molecular weight of 419.86 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-(4-chlorophenyl)-4-prop-2-enoyloxyanilino)phenyl] prop-2-enoate is sourced from PubChem (CID 59832803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).