(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide

C23H26FN3O — CID 25160176

IUPAC(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26FN3O/c1-15-5-11-20(24)23-22(15)19(16(2)26-23)13-14-25-21(28)12-8-17-6-9-18(10-7-17)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,25,28)/b12-8+
InChIKeyQDQDHADGFFVSOQ-XYOKQWHBSA-N
MW379.48 g/mol
LogP4.36
Rot. Bonds6

About (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide

(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide (PubChem CID 25160176) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
PubChem CID25160176
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C23H26FN3O/c1-15-5-11-20(24)23-22(15)19(16(2)26-23)13-14-25-21(28)12-8-17-6-9-18(10-7-17)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,25,28)/b12-8+
InChIKeyQDQDHADGFFVSOQ-XYOKQWHBSA-N
XLogP4.36
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]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

(E)-3-(4-aminophenyl)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide
CID 89218836
N-[2-(4,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 91138796
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-3-[3-(piperazin-1-ylmethyl)phenyl]prop-2-enamide
CID 69174813
3-[4-(dimethylamino)phenyl]-N-propylprop-2-enamide
CID 73010677
4-cyano-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 25173241
3-[(E)-3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-methyl-3-oxoprop-1-enyl]benzoic acid
CID 163689140
(E)-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 71499417
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
[3-[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]-2-oxoethoxy]phenyl] N,N-dimethylcarbamate
CID 25125659
(E)-3-[4-(dimethylamino)phenyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 110440843
2-(3-chloro-5-fluorophenoxy)-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 25125315
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 25127944

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide (CID 25160176) is (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide is Cc1[nH]c2c(F)ccc(C)c2c1CCNC(=O)/C=C/c1ccc(N(C)C)cc1.
What is the InChIKey of (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide?
The InChIKey is QDQDHADGFFVSOQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-15-5-11-20(24)23-22(15)19(16(2)26-23)13-14-25-21(28)12-8-17-6-9-18(10-7-17)27(3)4/h5-12,26H,13-14H2,1-4H3,(H,25,28)/b12-8+.
What are the key properties of (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide?
(E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide has a molecular weight of 379.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(dimethylamino)phenyl]-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 25160176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).