3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide

C24H16Cl2N4O2 — CID 72514252

IUPAC3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)NN=Cc2ccc3c(ccn3Cc3ccc(Cl)c(Cl)c3)c2)ccc1O
InChIInChI=1S/C24H16Cl2N4O2/c25-20-4-1-16(10-21(20)26)14-30-8-7-17-9-15(2-5-22(17)30)13-28-29-24(32)18-3-6-23(31)19(11-18)12-27/h1-11,13,31H,14H2,(H,29,32)
InChIKeySBMXTDSOCUQZKI-UHFFFAOYSA-N
MW463.32 g/mol
LogP5.34
Rot. Bonds5

About 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide

3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 72514252) has the molecular formula C24H16Cl2N4O2 and a molecular weight of 463.32 g/mol. Its IUPAC name is 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID72514252
Molecular FormulaC24H16Cl2N4O2
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1cc(C(=O)NN=Cc2ccc3c(ccn3Cc3ccc(Cl)c(Cl)c3)c2)ccc1O
InChIInChI=1S/C24H16Cl2N4O2/c25-20-4-1-16(10-21(20)26)14-30-8-7-17-9-15(2-5-22(17)30)13-28-29-24(32)18-3-6-23(31)19(11-18)12-27/h1-11,13,31H,14H2,(H,29,32)
InChIKeySBMXTDSOCUQZKI-UHFFFAOYSA-N
XLogP5.34
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.32
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[1-[(3,4-dichlorophenyl)methyl]indol-5-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

N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
3-cyano-4-hydroxy-N-[(E)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-4-yl]methylideneamino]benzamide
CID 11826682
3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59092198
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 154682763
N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
N-[(E)-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indol-4-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 59092164
3-cyano-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 59091575
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251
2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
ethyl 1-[4-[[4-[(E)-[(3-cyano-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 59091817

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide (CID 72514252) is 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide is N#Cc1cc(C(=O)NN=Cc2ccc3c(ccn3Cc3ccc(Cl)c(Cl)c3)c2)ccc1O.
What is the InChIKey of 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is SBMXTDSOCUQZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O2/c25-20-4-1-16(10-21(20)26)14-30-8-7-17-9-15(2-5-22(17)30)13-28-29-24(32)18-3-6-23(31)19(11-18)12-27/h1-11,13,31H,14H2,(H,29,32).
What are the key properties of 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide?
3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 463.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 72514252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).