N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide

C24H20FN3O — CID 19060958

IUPACN-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20FN3O/c1-17-6-2-3-7-21(17)24(29)27-26-14-19-16-28(23-9-5-4-8-22(19)23)15-18-10-12-20(25)13-11-18/h2-14,16H,15H2,1H3,(H,27,29)/b26-14+
InChIKeyRIASYFSPEZPIND-VULFUBBASA-N
MW385.44 g/mol
LogP4.90
Rot. Bonds5

About N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide

N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide (PubChem CID 19060958) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
PubChem CID19060958
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C24H20FN3O/c1-17-6-2-3-7-21(17)24(29)27-26-14-19-16-28(23-9-5-4-8-22(19)23)15-18-10-12-20(25)13-11-18/h2-14,16H,15H2,1H3,(H,27,29)/b26-14+
InChIKeyRIASYFSPEZPIND-VULFUBBASA-N
XLogP4.90
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide 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

methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 5452926
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
1-amino-3-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 86579605
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
CID 126059458
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide (CID 19060958) is N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide?
The InChIKey is RIASYFSPEZPIND-VULFUBBASA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-6-2-3-7-21(17)24(29)27-26-14-19-16-28(23-9-5-4-8-22(19)23)15-18-10-12-20(25)13-11-18/h2-14,16H,15H2,1H3,(H,27,29)/b26-14+.
What are the key properties of N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide?
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide has a molecular weight of 385.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19060958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).