4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

C23H19FN4O — CID 24818544

IUPAC4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19FN4O/c24-19-9-5-16(6-10-19)14-28-15-18(21-3-1-2-4-22(21)28)13-26-27-23(29)17-7-11-20(25)12-8-17/h1-13,15H,14,25H2,(H,27,29)
InChIKeyKNXKSAUXNHAGLU-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.17
Rot. Bonds5

About 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide (PubChem CID 24818544) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
PubChem CID24818544
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19FN4O/c24-19-9-5-16(6-10-19)14-28-15-18(21-3-1-2-4-22(21)28)13-26-27-23(29)17-7-11-20(25)12-8-17/h1-13,15H,14,25H2,(H,27,29)
InChIKeyKNXKSAUXNHAGLU-UHFFFAOYSA-N
XLogP4.17
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
CID 24818537
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
1-amino-3-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 86579605
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
4-acetamido-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 4535477
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 5452926
[[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methylideneamino]urea
CID 150950229
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide (CID 24818544) is 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is Nc1ccc(C(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The InChIKey is KNXKSAUXNHAGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-19-9-5-16(6-10-19)14-28-15-18(21-3-1-2-4-22(21)28)13-26-27-23(29)17-7-11-20(25)12-8-17/h1-13,15H,14,25H2,(H,27,29).
What are the key properties of 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide has a molecular weight of 386.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 24818544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).