3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide

C23H18FN3O2 — CID 135804227

IUPAC3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cccc(F)c1
InChIInChI=1S/C23H18FN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-12-20(9-10-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14+
InChIKeyXTNYDGOAJADSIQ-VULFUBBASA-N
MW387.41 g/mol
LogP4.65
Rot. Bonds6

About 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide

3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 135804227) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID135804227
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cccc(F)c1
InChIInChI=1S/C23H18FN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-12-20(9-10-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14+
InChIKeyXTNYDGOAJADSIQ-VULFUBBASA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 135414083
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135455753
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 6089080
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (CID 135804227) is 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2cc(OCc3ccccc3)ccc12)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is XTNYDGOAJADSIQ-VULFUBBASA-N. The full InChI is InChI=1S/C23H18FN3O2/c24-19-8-4-7-17(11-19)23(28)27-26-14-18-13-25-22-12-20(9-10-21(18)22)29-15-16-5-2-1-3-6-16/h1-14,25H,15H2,(H,27,28)/b26-14+.
What are the key properties of 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 387.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135804227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).