N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide

C24H20ClN3O2 — CID 5458107

IUPACN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20ClN3O2/c25-20-10-12-21(13-11-20)30-17-24(29)27-26-14-19-16-28(15-18-6-2-1-3-7-18)23-9-5-4-8-22(19)23/h1-14,16H,15,17H2,(H,27,29)/b26-14-
InChIKeyJRLSVRDXABFRRO-WGARJPEWSA-N
MW417.90 g/mol
LogP4.87
Rot. Bonds7

About N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide

N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 5458107) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID5458107
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C24H20ClN3O2/c25-20-10-12-21(13-11-20)30-17-24(29)27-26-14-19-16-28(15-18-6-2-1-3-7-18)23-9-5-4-8-22(19)23/h1-14,16H,15,17H2,(H,27,29)/b26-14-
InChIKeyJRLSVRDXABFRRO-WGARJPEWSA-N
XLogP4.87
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide 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-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 19173360
(2S)-N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylpentanamide
CID 126016828
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 51393753
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(2,4-dichlorophenoxy)-N-[(E)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126001556
5-[[3-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 3902657
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 92847108
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
3-[[3-[(Z)-[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid
CID 126217163

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide (CID 5458107) is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is JRLSVRDXABFRRO-WGARJPEWSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-20-10-12-21(13-11-20)30-17-24(29)27-26-14-19-16-28(15-18-6-2-1-3-7-18)23-9-5-4-8-22(19)23/h1-14,16H,15,17H2,(H,27,29)/b26-14-.
What are the key properties of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 417.90 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 5458107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).