3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione

C19H23FN2O4 — CID 110544304

IUPAC3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(F)cc2)=C(N(CCOC)CCOC)C1=O
InChIInChI=1S/C19H23FN2O4/c1-4-9-22-18(23)16(14-5-7-15(20)8-6-14)17(19(22)24)21(10-12-25-2)11-13-26-3/h4-8H,1,9-13H2,2-3H3
InChIKeyCXMRLQLVNWQSEJ-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.69
Rot. Bonds10

About 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione

3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110544304) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110544304
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(F)cc2)=C(N(CCOC)CCOC)C1=O
InChIInChI=1S/C19H23FN2O4/c1-4-9-22-18(23)16(14-5-7-15(20)8-6-14)17(19(22)24)21(10-12-25-2)11-13-26-3/h4-8H,1,9-13H2,2-3H3
InChIKeyCXMRLQLVNWQSEJ-UHFFFAOYSA-N
XLogP1.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110543282
3-[bis(2-methoxyethyl)amino]-4-(4-chlorophenyl)-1-ethylpyrrole-2,5-dione
CID 110569653
3-[bis(2-methoxyethyl)amino]-1-(4-fluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110560491
3-[bis(2-methoxyethyl)amino]-1-(3-chlorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545247
3-[bis(2-methoxyethyl)amino]-4-(4-methoxyphenyl)-1-pentylpyrrole-2,5-dione
CID 110556213
3-[bis(2-methoxyethyl)amino]-4-(4-nitrophenyl)-1-pentylpyrrole-2,5-dione
CID 110541249
3-[ethyl(2-pyridin-4-ylethyl)amino]-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556824
3-[bis(2-methoxyethyl)amino]-1-[2-(4-fluorophenyl)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565374
3-[bis(2-methoxyethyl)amino]-1-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572010
3-[bis(2-methoxyethyl)amino]-4-(3,4-dimethylphenyl)-1-(3-methoxypropyl)pyrrole-2,5-dione
CID 110549163
3-[bis(2-methoxyethyl)amino]-1-(3-butoxypropyl)-4-(4-chlorophenyl)pyrrole-2,5-dione
CID 110570159
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556828

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione (CID 110544304) is 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(F)cc2)=C(N(CCOC)CCOC)C1=O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is CXMRLQLVNWQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-4-9-22-18(23)16(14-5-7-15(20)8-6-14)17(19(22)24)21(10-12-25-2)11-13-26-3/h4-8H,1,9-13H2,2-3H3.
What are the key properties of 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione?
3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 362.40 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-4-(4-fluorophenyl)-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110544304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).