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

C23H18FN3O2 — CID 126253017

IUPACN-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(O)c1
InChIInChI=1S/C23H18FN3O2/c24-20-5-1-3-17(12-20)15-27-10-9-18-11-16(7-8-22(18)27)14-25-26-23(29)19-4-2-6-21(28)13-19/h1-14,28H,15H2,(H,26,29)/b25-14-
InChIKeyFEVHMGOEIUSBCH-QFEZKATASA-N
MW387.41 g/mol
LogP4.30
Rot. Bonds5

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

N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide (PubChem CID 126253017) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
PubChem CID126253017
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
SMILESO=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(O)c1
InChIInChI=1S/C23H18FN3O2/c24-20-5-1-3-17(12-20)15-27-10-9-18-11-16(7-8-22(18)27)14-25-26-23(29)19-4-2-6-21(28)13-19/h1-14,28H,15H2,(H,26,29)/b25-14-
InChIKeyFEVHMGOEIUSBCH-QFEZKATASA-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

N-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-2-hydroxybenzamide
CID 4273821
[(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
2-bromo-N-[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]benzamide
CID 126237991
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
5-fluoro-1-[(3-fluorophenyl)methyl]indole
CID 63852171
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-naphthalen-2-ylmethanimine
CID 126245022
3-cyano-N-[[1-[(3,4-dichlorophenyl)methyl]indol-5-yl]methylideneamino]-4-hydroxybenzamide
CID 72514252
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
N-[(3-hydroxyphenyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724894

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide (CID 126253017) is N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide is O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(O)c1.
What is the InChIKey of N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide?
The InChIKey is FEVHMGOEIUSBCH-QFEZKATASA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-20-5-1-3-17(12-20)15-27-10-9-18-11-16(7-8-22(18)27)14-25-26-23(29)19-4-2-6-21(28)13-19/h1-14,28H,15H2,(H,26,29)/b25-14-.
What are the key properties of N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide?
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-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-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 126253017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).