4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

C18H17FN2O4 — CID 7946133

IUPAC4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-2-16(22)12-5-9-15(10-6-12)25-11-17(23)20-21-18(24)13-3-7-14(19)8-4-13/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeySHNQNFDUGJPTBP-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.26
Rot. Bonds6

About 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide

4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (PubChem CID 7946133) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
PubChem CID7946133
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN2O4/c1-2-16(22)12-5-9-15(10-6-12)25-11-17(23)20-21-18(24)13-3-7-14(19)8-4-13/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeySHNQNFDUGJPTBP-UHFFFAOYSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenoxy)acetyl]-4-iodobenzohydrazide
CID 27836051
3,4,5-trimethoxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 2088517
2-hydroxy-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 18109151
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
3,4-dichloro-N'-[2-(4-fluorophenoxy)acetyl]benzohydrazide
CID 7910735
tert-butyl N-[4-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]phenyl]carbamate
CID 9379254
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
N'-[2-(3-chlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 9340581

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide (CID 7946133) is 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is CCC(=O)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
The InChIKey is SHNQNFDUGJPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-2-16(22)12-5-9-15(10-6-12)25-11-17(23)20-21-18(24)13-3-7-14(19)8-4-13/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide?
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide has a molecular weight of 344.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 7946133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).