N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C16H13BrFN3O2 — CID 43948519

IUPACN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C16H13BrFN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKeyIWLXEYMVXZYQHU-AWQFTUOYSA-N
MW378.20 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 43948519) has the molecular formula C16H13BrFN3O2 and a molecular weight of 378.20 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID43948519
Molecular FormulaC16H13BrFN3O2
Molecular Weight378.20 g/mol
Exact Mass377.02
IUPAC NameN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C16H13BrFN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+
InChIKeyIWLXEYMVXZYQHU-AWQFTUOYSA-N
XLogP2.47
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.20
LogP ≤ 52.47
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

[4-[[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4303570
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3553287
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 136758798
3-bromo-N-[2-[2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4316805
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N-[2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-chloro-6-fluorobenzamide
CID 43948408
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054475
2,4-dichloro-N-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4131259

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 43948519) is N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is IWLXEYMVXZYQHU-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O2/c17-12-5-3-4-11(8-12)9-20-21-15(22)10-19-16(23)13-6-1-2-7-14(13)18/h1-9H,10H2,(H,19,23)(H,21,22)/b20-9+.
What are the key properties of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 378.20 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 43948519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).