(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

C24H19Cl2F3N2O2 — CID 17117731

IUPAC(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C24H19Cl2F3N2O2/c25-16-4-7-18(19(26)14-16)22-9-5-17(33-22)6-10-23(32)30-20-13-15(24(27,28)29)3-8-21(20)31-11-1-2-12-31/h3-10,13-14H,1-2,11-12H2,(H,30,32)/b10-6+
InChIKeyUNMULARPIFZNRF-UXBLZVDNSA-N
MW495.33 g/mol
LogP7.52
Rot. Bonds5

About (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide

(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 17117731) has the molecular formula C24H19Cl2F3N2O2 and a molecular weight of 495.33 g/mol. Its IUPAC name is (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID17117731
Molecular FormulaC24H19Cl2F3N2O2
Molecular Weight495.33 g/mol
Exact Mass494.08
IUPAC Name(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1
InChIInChI=1S/C24H19Cl2F3N2O2/c25-16-4-7-18(19(26)14-16)22-9-5-17(33-22)6-10-23(32)30-20-13-15(24(27,28)29)3-8-21(20)31-11-1-2-12-31/h3-10,13-14H,1-2,11-12H2,(H,30,32)/b10-6+
InChIKeyUNMULARPIFZNRF-UXBLZVDNSA-N
XLogP7.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]prop-2-enamide
CID 6151889
(E)-3-(2,4-dichlorophenyl)-N-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]prop-2-enamide
CID 17115724
(E)-N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 43913588
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7406865
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
3-[[(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686262
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
3-(furan-2-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 1280315
(E)-N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17317728

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 17117731) is (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1.
What is the InChIKey of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is UNMULARPIFZNRF-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O2/c25-16-4-7-18(19(26)14-16)22-9-5-17(33-22)6-10-23(32)30-20-13-15(24(27,28)29)3-8-21(20)31-11-1-2-12-31/h3-10,13-14H,1-2,11-12H2,(H,30,32)/b10-6+.
What are the key properties of (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 495.33 g/mol, XLogP of 7.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 17117731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).