(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide

C23H17ClFN3O2 — CID 86891775

IUPAC(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cncc(F)c1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-5-4-17-10-23(30)28(21(17)11-18)14-15-1-6-20(7-2-15)27-22(29)8-3-16-9-19(25)13-26-12-16/h1-9,11-13H,10,14H2,(H,27,29)/b8-3+
InChIKeyNPJJVZYDGPVYSS-FPYGCLRLSA-N
MW421.86 g/mol
LogP4.62
Rot. Bonds5

About (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide

(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide (PubChem CID 86891775) has the molecular formula C23H17ClFN3O2 and a molecular weight of 421.86 g/mol. Its IUPAC name is (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
PubChem CID86891775
Molecular FormulaC23H17ClFN3O2
Molecular Weight421.86 g/mol
Exact Mass421.10
IUPAC Name(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1cncc(F)c1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C23H17ClFN3O2/c24-18-5-4-17-10-23(30)28(21(17)11-18)14-15-1-6-20(7-2-15)27-22(29)8-3-16-9-19(25)13-26-12-16/h1-9,11-13H,10,14H2,(H,27,29)/b8-3+
InChIKeyNPJJVZYDGPVYSS-FPYGCLRLSA-N
XLogP4.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)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

N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 119307604
7-amino-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]heptanamide;hydrochloride
CID 119756085
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-1-ethyl-6-oxopyridazine-3-carboxamide
CID 86933819
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307611
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95020536
N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119756087
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
CID 108766005
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 24684310
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]prop-2-enamide
CID 75925533
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
CID 91942882
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide (CID 86891775) is (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide is O=C(/C=C/c1cncc(F)c1)Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1.
What is the InChIKey of (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide?
The InChIKey is NPJJVZYDGPVYSS-FPYGCLRLSA-N. The full InChI is InChI=1S/C23H17ClFN3O2/c24-18-5-4-17-10-23(30)28(21(17)11-18)14-15-1-6-20(7-2-15)27-22(29)8-3-16-9-19(25)13-26-12-16/h1-9,11-13H,10,14H2,(H,27,29)/b8-3+.
What are the key properties of (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide?
(E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide has a molecular weight of 421.86 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(6-chloro-2-oxo-3H-indol-1-yl)methyl]phenyl]-3-(5-fluoro-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 86891775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).