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

C25H29Cl2N3O — CID 44533449

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide
SMILESCN(CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H29Cl2N3O/c1-30(16-13-20-18-29-24-8-4-3-7-21(20)24)15-6-2-5-14-28-25(31)12-10-19-9-11-22(26)23(27)17-19/h3-4,7-12,17-18,29H,2,5-6,13-16H2,1H3,(H,28,31)/b12-10+
InChIKeyXGIBFSTUPFAKGU-ZRDIBKRKSA-N
MW458.43 g/mol
LogP5.95
Rot. Bonds11

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

(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide (PubChem CID 44533449) has the molecular formula C25H29Cl2N3O and a molecular weight of 458.43 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide
PubChem CID44533449
Molecular FormulaC25H29Cl2N3O
Molecular Weight458.43 g/mol
Exact Mass457.17
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide
SMILESCN(CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C25H29Cl2N3O/c1-30(16-13-20-18-29-24-8-4-3-7-21(20)24)15-6-2-5-14-28-25(31)12-10-19-9-11-22(26)23(27)17-19/h3-4,7-12,17-18,29H,2,5-6,13-16H2,1H3,(H,28,31)/b12-10+
InChIKeyXGIBFSTUPFAKGU-ZRDIBKRKSA-N
XLogP5.95
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.43
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamoyl tryptamine
CID 823206
Chondriamide A
CID 6917436
Chondriamide C
CID 10336561
N-[2-(1H-Indol-3-yl)ethyl]-N-methylacetamide
CID 383154
Tepirindole
CID 68915
N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)acrylamide
CID 11397926
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide
CID 126738293
(E)-3-(3,4-dichlorophenyl)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 11627840
N-(3,4-dichlorophenyl)-1H-indole-5-carboxamide
CID 63718419
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
(3,4-dichlorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298410

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide (CID 44533449) is (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide is CN(CCCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1)CCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide?
The InChIKey is XGIBFSTUPFAKGU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C25H29Cl2N3O/c1-30(16-13-20-18-29-24-8-4-3-7-21(20)24)15-6-2-5-14-28-25(31)12-10-19-9-11-22(26)23(27)17-19/h3-4,7-12,17-18,29H,2,5-6,13-16H2,1H3,(H,28,31)/b12-10+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide has a molecular weight of 458.43 g/mol, XLogP of 5.95, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[5-[2-(1H-indol-3-yl)ethyl-methylamino]pentyl]prop-2-enamide is sourced from PubChem (CID 44533449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).