(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one

C18H15Cl2NO2 — CID 71457713

IUPAC(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCCCCl)cc1
InChIInChI=1S/C18H15Cl2NO2/c19-8-1-9-23-14-5-2-12(3-6-14)10-16-15-11-13(20)4-7-17(15)21-18(16)22/h2-7,10-11H,1,8-9H2,(H,21,22)/b16-10-
InChIKeyPFBSBFFUFZPNAB-YBEGLDIGSA-N
MW348.23 g/mol
LogP4.84
Rot. Bonds5

About (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 71457713) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID71457713
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCCCCl)cc1
InChIInChI=1S/C18H15Cl2NO2/c19-8-1-9-23-14-5-2-12(3-6-14)10-16-15-11-13(20)4-7-17(15)21-18(16)22/h2-7,10-11H,1,8-9H2,(H,21,22)/b16-10-
InChIKeyPFBSBFFUFZPNAB-YBEGLDIGSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-chloro-3-(2-(3-methoxyphenyl)-2-oxoethylidene)indolin-2-one
CID 54586672
(3E)-5-chloro-3-[(2,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6213796
N-(4-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 6915584
(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
CID 71450567
(3Z)-5-chloro-3-[[4-[2-(diethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 71452399
4-[4-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-2-methoxyphenoxy]butanenitrile
CID 71452401
(3Z)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71463084
(3E)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
CID 71531214
(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71531360
(3E)-5-chloro-3-[(2,4-dipropoxyphenyl)methylidene]-1H-indol-2-one
CID 90643709
(3E)-5-chloro-3-[[2,4-di(propan-2-yloxy)phenyl]methylidene]-1H-indol-2-one
CID 90643710
(3E)-6-chloro-3-[[2,4-di(propan-2-yloxy)phenyl]methylidene]-1H-indol-2-one
CID 90643711

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one (CID 71457713) is (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(OCCCCl)cc1.
What is the InChIKey of (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is PFBSBFFUFZPNAB-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c19-8-1-9-23-14-5-2-12(3-6-14)10-16-15-11-13(20)4-7-17(15)21-18(16)22/h2-7,10-11H,1,8-9H2,(H,21,22)/b16-10-.
What are the key properties of (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 348.23 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[4-(3-chloropropoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71457713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).