N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide

C17H13ClN2O2 — CID 2360372

IUPACN-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H13ClN2O2/c1-10(21)19-13-5-2-11(3-6-13)8-15-14-7-4-12(18)9-16(14)20-17(15)22/h2-9H,1H3,(H,19,21)(H,20,22)/b15-8-
InChIKeyWYROBFGVYOFTIF-NVNXTCNLSA-N
MW312.76 g/mol
LogP3.79
Rot. Bonds2

About N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide

N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide (PubChem CID 2360372) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
PubChem CID2360372
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H13ClN2O2/c1-10(21)19-13-5-2-11(3-6-13)8-15-14-7-4-12(18)9-16(14)20-17(15)22/h2-9H,1H3,(H,19,21)(H,20,22)/b15-8-
InChIKeyWYROBFGVYOFTIF-NVNXTCNLSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[4-[[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]phenyl]acetamide
CID 2768382
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
3-[4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]propanoic acid
CID 52614200
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide (CID 2360372) is N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide?
The InChIKey is WYROBFGVYOFTIF-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10(21)19-13-5-2-11(3-6-13)8-15-14-7-4-12(18)9-16(14)20-17(15)22/h2-9H,1H3,(H,19,21)(H,20,22)/b15-8-.
What are the key properties of N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide?
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide has a molecular weight of 312.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 2360372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).