2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

C17H16FN3O3 — CID 3553287

IUPAC2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc(O)c1
InChIInChI=1S/C17H16FN3O3/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(22)10-12/h1-7,10-11,22H,8-9H2,(H,19,24)(H,21,23)
InChIKeyAWWDEGYCQRJCSP-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.80
Rot. Bonds6

About 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 3553287) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID3553287
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc(O)c1
InChIInChI=1S/C17H16FN3O3/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(22)10-12/h1-7,10-11,22H,8-9H2,(H,19,24)(H,21,23)
InChIKeyAWWDEGYCQRJCSP-UHFFFAOYSA-N
XLogP1.80
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.80
H-Bond Donors ≤ 53
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

2-fluoro-N-[3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3948081
N-[3-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3942359
N-[3-[2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3310576
2-fluoro-N-[3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3450475
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 43948519
N-[3-[2-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4538002
N-[3-[2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 5138307
2-fluoro-N-[3-[2-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3512736
N-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4670526
2-fluoro-N-[1-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3563582
N-[3-[2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4239499
N-[3-[2-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4571378

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 3553287) is 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1F)NN=Cc1cccc(O)c1.
What is the InChIKey of 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is AWWDEGYCQRJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-15-7-2-1-6-14(15)17(24)19-9-8-16(23)21-20-11-12-4-3-5-13(22)10-12/h1-7,10-11,22H,8-9H2,(H,19,24)(H,21,23).
What are the key properties of 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 329.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 3553287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).