4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C18H17BrFN3O4 — CID 4788595

IUPAC4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H17BrFN3O4/c19-13-7-5-12(6-8-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyIPHITACJCGXUTE-UHFFFAOYSA-N
MW438.25 g/mol
LogP1.93
Rot. Bonds7

About 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide

4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4788595) has the molecular formula C18H17BrFN3O4 and a molecular weight of 438.25 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4788595
Molecular FormulaC18H17BrFN3O4
Molecular Weight438.25 g/mol
Exact Mass437.04
IUPAC Name4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)COc1ccccc1F
InChIInChI=1S/C18H17BrFN3O4/c19-13-7-5-12(6-8-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyIPHITACJCGXUTE-UHFFFAOYSA-N
XLogP1.93
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4790897
4-tert-butyl-N-[3-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4791427
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4846808
4-bromo-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 614739
2-[(4-Methoxybenzyl)amino]-2-oxoethyl 4-bromobenzoate
CID 2364469
N-[3-[2-(4-bromobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 18162042
4-bromo-N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 24409714
4-bromo-N-[3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24818372
2-[2-(4-Bromobenzoyl)hydrazinyl]-2-oxoethyl N-(2-methoxybenzoyl)glycinate
CID 16274619
2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 2124711
4-bromo-N-[3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 16266617
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 24982102

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 4788595) is 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)COc1ccccc1F.
What is the InChIKey of 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is IPHITACJCGXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O4/c19-13-7-5-12(6-8-13)18(26)21-10-9-16(24)22-23-17(25)11-27-15-4-2-1-3-14(15)20/h1-8H,9-11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 438.25 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4788595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).