4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide

C23H18ClN3O2 — CID 137069607

IUPAC4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-19-8-6-17(7-9-19)23(28)27-26-14-18-13-25-22-11-10-20(12-21(18)22)29-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyWGQVZBWYXMTUOY-WGARJPEWSA-N
MW403.87 g/mol
LogP5.16
Rot. Bonds6

About 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide

4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (PubChem CID 137069607) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
PubChem CID137069607
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O2/c24-19-8-6-17(7-9-19)23(28)27-26-14-18-13-25-22-11-10-20(12-21(18)22)29-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,27,28)/b26-14-
InChIKeyWGQVZBWYXMTUOY-WGARJPEWSA-N
XLogP5.16
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.16
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-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135455753
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
4-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide (CID 137069607) is 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
The InChIKey is WGQVZBWYXMTUOY-WGARJPEWSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-19-8-6-17(7-9-19)23(28)27-26-14-18-13-25-22-11-10-20(12-21(18)22)29-15-16-4-2-1-3-5-16/h1-14,25H,15H2,(H,27,28)/b26-14-.
What are the key properties of 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide?
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 137069607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).