N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide

C24H21BrFN3O3 — CID 5138307

IUPACN-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H21BrFN3O3/c25-19-9-5-18(6-10-19)16-32-20-11-7-17(8-12-20)15-28-29-23(30)13-14-27-24(31)21-3-1-2-4-22(21)26/h1-12,15H,13-14,16H2,(H,27,31)(H,29,30)
InChIKeyUOBWEWSCCKZHBF-UHFFFAOYSA-N
MW498.35 g/mol
LogP4.44
Rot. Bonds9

About N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide

N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide (PubChem CID 5138307) has the molecular formula C24H21BrFN3O3 and a molecular weight of 498.35 g/mol. Its IUPAC name is N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
PubChem CID5138307
Molecular FormulaC24H21BrFN3O3
Molecular Weight498.35 g/mol
Exact Mass497.08
IUPAC NameN-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C24H21BrFN3O3/c25-19-9-5-18(6-10-19)16-32-20-11-7-17(8-12-20)15-28-29-23(30)13-14-27-24(31)21-3-1-2-4-22(21)26/h1-12,15H,13-14,16H2,(H,27,31)(H,29,30)
InChIKeyUOBWEWSCCKZHBF-UHFFFAOYSA-N
XLogP4.44
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.35
LogP ≤ 54.44
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-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-fluoro-N-[3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3450475
2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3553287
4-methoxy-N-[3-[2-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 5005619
N-[3-[2-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3487101
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
N-[3-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3942359
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-bromophenoxy)-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 45054335
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
N-[3-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4571378
2-(4-bromoanilino)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126367989

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide (CID 5138307) is N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide is O=C(CCNC(=O)c1ccccc1F)NN=Cc1ccc(OCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is UOBWEWSCCKZHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrFN3O3/c25-19-9-5-18(6-10-19)16-32-20-11-7-17(8-12-20)15-28-29-23(30)13-14-27-24(31)21-3-1-2-4-22(21)26/h1-12,15H,13-14,16H2,(H,27,31)(H,29,30).
What are the key properties of N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide?
N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 498.35 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 5138307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).