(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

C24H17Cl2N3O2 — CID 1278955

IUPAC(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H17Cl2N3O2/c25-20-7-5-15(12-21(20)26)23-8-6-18(31-23)11-17(13-27)24(30)28-10-9-16-14-29-22-4-2-1-3-19(16)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)/b17-11+
InChIKeyDNSHKCVHIZAZRT-GZTJUZNOSA-N
MW450.33 g/mol
LogP6.00
Rot. Bonds6

About (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide

(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (PubChem CID 1278955) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
PubChem CID1278955
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC Name(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C24H17Cl2N3O2/c25-20-7-5-15(12-21(20)26)23-8-6-18(31-23)11-17(13-27)24(30)28-10-9-16-14-29-22-4-2-1-3-19(16)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)/b17-11+
InChIKeyDNSHKCVHIZAZRT-GZTJUZNOSA-N
XLogP6.00
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 699121
3-(1-(2-(5-chlorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11360898
Benzamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-
CID 71449489
4-chloro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776472
3-chloro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776473
(E)-3-(5-(3-chlorophenyl)furan-2-yl)-2-cyano-N-(quinolin-8-yl)acrylamide
CID 1419882
2-Cyano-N-[2-(1H-indol-3-yl)-ethyl]-3-(5-piperidin-1-yl-furan-2-yl)-acrylamide
CID 1842588
(2E)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 1923659
N-[[5-(3,5-Dichlorophenyl)-2-furanyl]methyl]-1H-indole-3-ethanamine
CID 4723679
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 4725280
4-chloro-N-[(2S)-1-[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73774764
3,4-dichloro-N-[(2S)-1-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 73776613

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide (CID 1278955) is (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
The InChIKey is DNSHKCVHIZAZRT-GZTJUZNOSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c25-20-7-5-15(12-21(20)26)23-8-6-18(31-23)11-17(13-27)24(30)28-10-9-16-14-29-22-4-2-1-3-19(16)22/h1-8,11-12,14,29H,9-10H2,(H,28,30)/b17-11+.
What are the key properties of (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide?
(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide has a molecular weight of 450.33 g/mol, XLogP of 6.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 1278955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).