4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

C24H16F2N4O — CID 5452926

IUPAC4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESN#Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c(F)c1
InChIInChI=1S/C24H16F2N4O/c25-19-8-5-16(6-9-19)14-30-15-18(20-3-1-2-4-23(20)30)13-28-29-24(31)21-10-7-17(12-27)11-22(21)26/h1-11,13,15H,14H2,(H,29,31)/b28-13-
InChIKeyQMPOEYKQHFXEOM-QDTIIGTASA-N
MW414.42 g/mol
LogP4.60
Rot. Bonds5

About 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide

4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide (PubChem CID 5452926) has the molecular formula C24H16F2N4O and a molecular weight of 414.42 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
PubChem CID5452926
Molecular FormulaC24H16F2N4O
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
SMILESN#Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c(F)c1
InChIInChI=1S/C24H16F2N4O/c25-19-8-5-16(6-9-19)14-30-15-18(20-3-1-2-4-23(20)30)13-28-29-24(31)21-10-7-17(12-27)11-22(21)26/h1-11,13,15H,14H2,(H,29,31)/b28-13-
InChIKeyQMPOEYKQHFXEOM-QDTIIGTASA-N
XLogP4.60
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.60
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'}

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Related Compounds

N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
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-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
CID 126059458
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide (CID 5452926) is 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is N#Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
The InChIKey is QMPOEYKQHFXEOM-QDTIIGTASA-N. The full InChI is InChI=1S/C24H16F2N4O/c25-19-8-5-16(6-9-19)14-30-15-18(20-3-1-2-4-23(20)30)13-28-29-24(31)21-10-7-17(12-27)11-22(21)26/h1-11,13,15H,14H2,(H,29,31)/b28-13-.
What are the key properties of 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide?
4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide has a molecular weight of 414.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 5452926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).