N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide

C26H24ClN3O2 — CID 29148711

IUPACN-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1
InChIInChI=1S/C26H24ClN3O2/c1-3-32-21-14-12-19(13-15-21)26(31)29-28-16-23-18(2)30(25-11-7-5-9-22(23)25)17-20-8-4-6-10-24(20)27/h4-16H,3,17H2,1-2H3,(H,29,31)/b28-16-
InChIKeyHSFJIDZLRJPIRH-NTFVMDSBSA-N
MW445.95 g/mol
LogP5.81
Rot. Bonds7

About N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide

N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide (PubChem CID 29148711) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
PubChem CID29148711
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1
InChIInChI=1S/C26H24ClN3O2/c1-3-32-21-14-12-19(13-15-21)26(31)29-28-16-23-18(2)30(25-11-7-5-9-22(23)25)17-20-8-4-6-10-24(20)27/h4-16H,3,17H2,1-2H3,(H,29,31)/b28-16-
InChIKeyHSFJIDZLRJPIRH-NTFVMDSBSA-N
XLogP5.81
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.81
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-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide 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

ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 29148713
N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
CID 92659209
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
4-ethoxy-N-[(E)-(2-methyl-1-propan-2-ylindol-3-yl)methylideneamino]benzamide
CID 17246511
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(E)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126408993
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3-phenylpropanamide
CID 25251479
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 17246263

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide (CID 29148711) is N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide?
The InChIKey is HSFJIDZLRJPIRH-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-3-32-21-14-12-19(13-15-21)26(31)29-28-16-23-18(2)30(25-11-7-5-9-22(23)25)17-20-8-4-6-10-24(20)27/h4-16H,3,17H2,1-2H3,(H,29,31)/b28-16-.
What are the key properties of N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide?
N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide has a molecular weight of 445.95 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 29148711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).