(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide

C17H10ClN3O2 — CID 44713861

IUPAC(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide
SMILESN#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H10ClN3O2/c18-10-6-7-14-12(8-10)15(17(23)21-14)13(9-19)16(22)20-11-4-2-1-3-5-11/h1-8H,(H,20,22)(H,21,23)/b15-13-
InChIKeyHSNRGSCSLHHBTO-SQFISAMPSA-N
MW323.74 g/mol
LogP3.21
Rot. Bonds2

About (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide

(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide (PubChem CID 44713861) has the molecular formula C17H10ClN3O2 and a molecular weight of 323.74 g/mol. Its IUPAC name is (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide
PubChem CID44713861
Molecular FormulaC17H10ClN3O2
Molecular Weight323.74 g/mol
Exact Mass323.05
IUPAC Name(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide
SMILESN#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C17H10ClN3O2/c18-10-6-7-14-12(8-10)15(17(23)21-14)13(9-19)16(22)20-11-4-2-1-3-5-11/h1-8H,(H,20,22)(H,21,23)/b15-13-
InChIKeyHSNRGSCSLHHBTO-SQFISAMPSA-N
XLogP3.21
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyanoacetamide
CID 44713865
2-cyano-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)acetic acid
CID 57367546
methyl 2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 3821093
2-cyano-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetic acid
CID 85365721
2-cyano-2-[2-oxo-5-(trifluoromethoxy)-1H-indol-3-ylidene]acetic acid
CID 69024883
(2Z)-2-cyano-2-[(5S)-5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 41271927
N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetamide
CID 135751994
N-[(4-bromo-2-hydroxyphenyl)methylideneamino]-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetamide
CID 5161386
2-(3-aminoisoindol-1-ylidene)-2-cyano-N-phenylacetamide
CID 57236985
(2Z)-2-[(5R)-5-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 41271944
1-[4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-(4-fluorophenyl)urea
CID 135995910
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
CID 56969930

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide?
The IUPAC name of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide (CID 44713861) is (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide.
What is the SMILES notation for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide?
The canonical SMILES for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide is N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide?
The InChIKey is HSNRGSCSLHHBTO-SQFISAMPSA-N. The full InChI is InChI=1S/C17H10ClN3O2/c18-10-6-7-14-12(8-10)15(17(23)21-14)13(9-19)16(22)20-11-4-2-1-3-5-11/h1-8H,(H,20,22)(H,21,23)/b15-13-.
What are the key properties of (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide?
(2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide has a molecular weight of 323.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-2-cyano-N-phenylacetamide is sourced from PubChem (CID 44713861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).