N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide

C23H18FN3O2 — CID 4273821

IUPACN-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1O
InChIInChI=1S/C23H18FN3O2/c24-19-5-3-4-17(13-19)15-27-11-10-18-12-16(8-9-21(18)27)14-25-26-23(29)20-6-1-2-7-22(20)28/h1-14,28H,15H2,(H,26,29)
InChIKeyHZIOLYLLJVRVTC-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.30
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide

N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 4273821) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID4273821
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1O
InChIInChI=1S/C23H18FN3O2/c24-19-5-3-4-17(13-19)15-27-11-10-18-12-16(8-9-21(18)27)14-25-26-23(29)20-6-1-2-7-22(20)28/h1-14,28H,15H2,(H,26,29)
InChIKeyHZIOLYLLJVRVTC-UHFFFAOYSA-N
XLogP4.30
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
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

2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126241100
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 126251507
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126234003
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]acetamide
CID 126239890
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
CID 126245022
N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2,4-dinitroaniline
CID 126232582
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523143

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide (CID 4273821) is N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1O.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is HZIOLYLLJVRVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-5-3-4-17(13-19)15-27-11-10-18-12-16(8-9-21(18)27)14-25-26-23(29)20-6-1-2-7-22(20)28/h1-14,28H,15H2,(H,26,29).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide?
N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 387.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 4273821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).