3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

C24H17ClN4O2 — CID 154682763

IUPAC3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1
InChIInChI=1S/C24H17ClN4O2/c25-21-12-18(8-9-23(21)30)24(31)28-27-14-19-2-1-3-22-20(19)10-11-29(22)15-17-6-4-16(13-26)5-7-17/h1-12,14,30H,15H2,(H,28,31)/b27-14+
InChIKeySGIQXAVYSFLSMO-MZJWZYIUSA-N
MW428.88 g/mol
LogP4.68
Rot. Bonds5

About 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 154682763) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID154682763
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC Name3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESN#Cc1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1
InChIInChI=1S/C24H17ClN4O2/c25-21-12-18(8-9-23(21)30)24(31)28-27-14-19-2-1-3-22-20(19)10-11-29(22)15-17-6-4-16(13-26)5-7-17/h1-12,14,30H,15H2,(H,28,31)/b27-14+
InChIKeySGIQXAVYSFLSMO-MZJWZYIUSA-N
XLogP4.68
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.68
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'}

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Related Compounds

methyl 4-[[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate
CID 154682754
3-cyano-4-hydroxy-N-[(E)-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-4-yl]methylideneamino]benzamide
CID 11826682
3-chloro-4-hydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 172956866
3-cyano-N-[(E)-[1-[[4-(difluoromethoxy)phenyl]methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59092198
3-chloro-N-[(E)-[1-[2-(diethylamino)-2-oxoethyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 10873618
3-cyano-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 59091575
N-[(E)-[1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]indol-4-yl]methylideneamino]-3-cyano-4-hydroxybenzamide
CID 59092164
3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59091883
3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 72514126
ethyl 1-[4-[[4-[(E)-[(3-cyano-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoyl]piperidine-4-carboxylate
CID 59091817
3-chloro-4-hydroxy-N-[[1-(1-phenylethyl)indol-4-yl]methylideneamino]benzamide
CID 72514536
3-amino-4-hydroxy-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-4-yl]methylideneamino]benzamide
CID 87419048

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 154682763) is 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is N#Cc1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1.
What is the InChIKey of 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is SGIQXAVYSFLSMO-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-21-12-18(8-9-23(21)30)24(31)28-27-14-19-2-1-3-22-20(19)10-11-29(22)15-17-6-4-16(13-26)5-7-17/h1-12,14,30H,15H2,(H,28,31)/b27-14+.
What are the key properties of 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 428.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 154682763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).