4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide

C22H17FN4O2 — CID 135455753

IUPAC4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-8-6-16(7-9-18)22(28)27-26-12-17-11-24-20-13-25-21(10-19(17)20)29-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,27,28)
InChIKeyVUOCLAJQHHRRNO-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.04
Rot. Bonds6

About 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide

4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide (PubChem CID 135455753) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
PubChem CID135455753
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
SMILESO=C(NN=Cc1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-8-6-16(7-9-18)22(28)27-26-12-17-11-24-20-13-25-21(10-19(17)20)29-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,27,28)
InChIKeyVUOCLAJQHHRRNO-UHFFFAOYSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.04
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-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135804166
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
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
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethoxy]benzamide
CID 135704652
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 573095
4-(2-anilino-2-oxoethoxy)-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 3694322
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide (CID 135455753) is 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide is O=C(NN=Cc1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The InChIKey is VUOCLAJQHHRRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-8-6-16(7-9-18)22(28)27-26-12-17-11-24-20-13-25-21(10-19(17)20)29-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,27,28).
What are the key properties of 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide has a molecular weight of 388.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135455753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).