2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide

C19H17BrN2O4 — CID 19578363

IUPAC2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
SMILESCCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCC(N)=O
InChIInChI=1S/C19H17BrN2O4/c1-2-25-16-8-11(14(20)9-17(16)26-10-18(21)23)7-13-12-5-3-4-6-15(12)22-19(13)24/h3-9H,2,10H2,1H3,(H2,21,23)(H,22,24)/b13-7-
InChIKeyBGZVZAGHLVMBMD-QPEQYQDCSA-N
MW417.26 g/mol
LogP3.20
Rot. Bonds6

About 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide

2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide (PubChem CID 19578363) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
PubChem CID19578363
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
SMILESCCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCC(N)=O
InChIInChI=1S/C19H17BrN2O4/c1-2-25-16-8-11(14(20)9-17(16)26-10-18(21)23)7-13-12-5-3-4-6-15(12)22-19(13)24/h3-9H,2,10H2,1H3,(H2,21,23)(H,22,24)/b13-7-
InChIKeyBGZVZAGHLVMBMD-QPEQYQDCSA-N
XLogP3.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 4569267
(3Z)-3-[[2-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylidene]-1H-indol-2-one
CID 126125008
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
ethyl 2-[5-bromo-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-ethoxyphenoxy]acetate
CID 168599399
ethyl 2-[2-chloro-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetate
CID 126117601
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
CID 2542406
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
2-[5-bromo-4-[(1,3-dioxoinden-2-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 1010757
5-bromo-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 2924192
(3E)-5-bromo-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 1020382
2-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]acetamide
CID 2164868

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide (CID 19578363) is 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide is CCOc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCC(N)=O.
What is the InChIKey of 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
The InChIKey is BGZVZAGHLVMBMD-QPEQYQDCSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-2-25-16-8-11(14(20)9-17(16)26-10-18(21)23)7-13-12-5-3-4-6-15(12)22-19(13)24/h3-9H,2,10H2,1H3,(H2,21,23)(H,22,24)/b13-7-.
What are the key properties of 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide?
2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide has a molecular weight of 417.26 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-ethoxy-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 19578363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).