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

C19H19BrFN3O4 — CID 4820876

IUPAC4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFN3O4/c1-12(28-16-8-6-15(21)7-9-16)18(26)24-23-17(25)10-11-22-19(27)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyFJKLQJUKOSWCDW-UHFFFAOYSA-N
MW452.28 g/mol
LogP2.32
Rot. Bonds7

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

4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 4820876) has the molecular formula C19H19BrFN3O4 and a molecular weight of 452.28 g/mol. Its IUPAC name is 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID4820876
Molecular FormulaC19H19BrFN3O4
Molecular Weight452.28 g/mol
Exact Mass451.05
IUPAC Name4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H19BrFN3O4/c1-12(28-16-8-6-15(21)7-9-16)18(26)24-23-17(25)10-11-22-19(27)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyFJKLQJUKOSWCDW-UHFFFAOYSA-N
XLogP2.32
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 52.32
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-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789098
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
4-bromo-N-[3-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 16266617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide (CID 4820876) is 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide is CC(Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is FJKLQJUKOSWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O4/c1-12(28-16-8-6-15(21)7-9-16)18(26)24-23-17(25)10-11-22-19(27)13-2-4-14(20)5-3-13/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide?
4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 452.28 g/mol, XLogP of 2.32, 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-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 4820876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).