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

C23H15ClFN3O3 — CID 59091883

IUPAC3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc2c1ccn2C(=O)c1ccc(F)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H15ClFN3O3/c24-19-12-15(6-9-21(19)29)22(30)27-26-13-16-2-1-3-20-18(16)10-11-28(20)23(31)14-4-7-17(25)8-5-14/h1-13,29H,(H,27,30)/b26-13+
InChIKeyWWGUXNWTDCPISO-LGJNPRDNSA-N
MW435.84 g/mol
LogP4.59
Rot. Bonds4

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

3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 59091883) has the molecular formula C23H15ClFN3O3 and a molecular weight of 435.84 g/mol. Its IUPAC name is 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID59091883
Molecular FormulaC23H15ClFN3O3
Molecular Weight435.84 g/mol
Exact Mass435.08
IUPAC Name3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESO=C(N/N=C/c1cccc2c1ccn2C(=O)c1ccc(F)cc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H15ClFN3O3/c24-19-12-15(6-9-21(19)29)22(30)27-26-13-16-2-1-3-20-18(16)10-11-28(20)23(31)14-4-7-17(25)8-5-14/h1-13,29H,(H,27,30)/b26-13+
InChIKeyWWGUXNWTDCPISO-LGJNPRDNSA-N
XLogP4.59
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.84
LogP ≤ 54.59
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

3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 72514126
3-chloro-4-hydroxy-N-[[1-(1-phenylethyl)indol-4-yl]methylideneamino]benzamide
CID 72514536
methyl 4-[[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate
CID 154682754
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-chloro-N-[(E)-[1-[2-(diethylamino)-2-oxoethyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 10873618
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 154682763
3-chloro-N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-4-hydroxybenzamide
CID 59092067
3-chloro-N-[[4-[2-[2-(4-fluoroanilino)ethylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 72514117
3-chloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-hydroxybenzamide
CID 59091778
3-chloro-4-hydroxy-N-[[5-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514526
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 59091883) is 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide is O=C(N/N=C/c1cccc2c1ccn2C(=O)c1ccc(F)cc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is WWGUXNWTDCPISO-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H15ClFN3O3/c24-19-12-15(6-9-21(19)29)22(30)27-26-13-16-2-1-3-20-18(16)10-11-28(20)23(31)14-4-7-17(25)8-5-14/h1-13,29H,(H,27,30)/b26-13+.
What are the key properties of 3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 435.84 g/mol, XLogP of 4.59, 4 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-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 59091883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).