3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

C25H18F2N4O3 — CID 59092198

IUPAC3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(OC(F)F)cc2)ccc1O
InChIInChI=1S/C25H18F2N4O3/c26-25(27)34-20-7-4-16(5-8-20)15-31-11-10-21-18(2-1-3-22(21)31)14-29-30-24(33)17-6-9-23(32)19(12-17)13-28/h1-12,14,25,32H,15H2,(H,30,33)/b29-14+
InChIKeyRYAOCIVOLRWLJR-IPPBACCNSA-N
MW460.44 g/mol
LogP4.63
Rot. Bonds7

About 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 59092198) has the molecular formula C25H18F2N4O3 and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID59092198
Molecular FormulaC25H18F2N4O3
Molecular Weight460.44 g/mol
Exact Mass460.13
IUPAC Name3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(OC(F)F)cc2)ccc1O
InChIInChI=1S/C25H18F2N4O3/c26-25(27)34-20-7-4-16(5-8-20)15-31-11-10-21-18(2-1-3-22(21)31)14-29-30-24(33)17-6-9-23(32)19(12-17)13-28/h1-12,14,25,32H,15H2,(H,30,33)/b29-14+
InChIKeyRYAOCIVOLRWLJR-IPPBACCNSA-N
XLogP4.63
TPSA99.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide 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

3-cyano-4-hydroxy-N-[(E)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-4-yl]methylideneamino]benzamide
CID 11826682
3-cyano-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 59091575
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 154682763
ethyl 1-[4-[[4-[(E)-[(3-cyano-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 59091817
methyl 4-[[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate
CID 154682754
N-[(E)-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indol-4-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 59092164
3-cyano-N-[(E)-[1-(furan-3-carbonyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59092003
3-chloro-4-hydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 172956866
3-amino-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 87419048
3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide
CID 72514252
3-amino-4-hydroxy-N-[(E)-[1-[(2,3,5,6-tetramethylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 87096465
3-chloro-N-[(E)-[4-[[4-(difluoromethoxy)phenyl]methoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091622

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 59092198) is 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is N#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(OC(F)F)cc2)ccc1O.
What is the InChIKey of 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is RYAOCIVOLRWLJR-IPPBACCNSA-N. The full InChI is InChI=1S/C25H18F2N4O3/c26-25(27)34-20-7-4-16(5-8-20)15-31-11-10-21-18(2-1-3-22(21)31)14-29-30-24(33)17-6-9-23(32)19(12-17)13-28/h1-12,14,25,32H,15H2,(H,30,33)/b29-14+.
What are the key properties of 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 460.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 59092198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).