(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide

C21H20ClFN2O2 — CID 71499382

IUPAC(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCn2c(C)cc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C21H20ClFN2O2/c1-14-11-16-13-17(23)5-7-19(16)25(14)10-9-24-21(26)8-4-15-3-6-18(22)20(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)/b8-4+
InChIKeyRPJODYUCHVFVRU-XBXARRHUSA-N
MW386.85 g/mol
LogP4.58
Rot. Bonds6

About (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide

(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide (PubChem CID 71499382) has the molecular formula C21H20ClFN2O2 and a molecular weight of 386.85 g/mol. Its IUPAC name is (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide
PubChem CID71499382
Molecular FormulaC21H20ClFN2O2
Molecular Weight386.85 g/mol
Exact Mass386.12
IUPAC Name(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCn2c(C)cc3cc(F)ccc32)ccc1Cl
InChIInChI=1S/C21H20ClFN2O2/c1-14-11-16-13-17(23)5-7-19(16)25(14)10-9-24-21(26)8-4-15-3-6-18(22)20(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)/b8-4+
InChIKeyRPJODYUCHVFVRU-XBXARRHUSA-N
XLogP4.58
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-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)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 71499289
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3655068
(E)-3-(5-bromo-2,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 71499383
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]prop-2-enamide
CID 26443945
(Z)-3-(3-fluoro-4-methoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]prop-2-enamide
CID 97455101
(E)-3-[4-[3-(dimethylamino)propoxy]phenyl]-N-[2-(2-methylindol-1-yl)ethyl]prop-2-enamide
CID 90677072
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 23625459
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[4-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6277320
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 37496007
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide (CID 71499382) is (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide is COc1cc(/C=C/C(=O)NCCn2c(C)cc3cc(F)ccc32)ccc1Cl.
What is the InChIKey of (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide?
The InChIKey is RPJODYUCHVFVRU-XBXARRHUSA-N. The full InChI is InChI=1S/C21H20ClFN2O2/c1-14-11-16-13-17(23)5-7-19(16)25(14)10-9-24-21(26)8-4-15-3-6-18(22)20(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,26)/b8-4+.
What are the key properties of (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide?
(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide has a molecular weight of 386.85 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 71499382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).