N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

C18H18FN3O2 — CID 3468742

IUPACN-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NN=Cc1ccccc1CF
InChIInChI=1S/C18H18FN3O2/c19-12-15-8-4-5-9-16(15)13-21-22-17(23)10-11-20-18(24)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,24)(H,22,23)
InChIKeyIDYVJJAMECBEFL-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide

N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 3468742) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID3468742
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NN=Cc1ccccc1CF
InChIInChI=1S/C18H18FN3O2/c19-12-15-8-4-5-9-16(15)13-21-22-17(23)10-11-20-18(24)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,24)(H,22,23)
InChIKeyIDYVJJAMECBEFL-UHFFFAOYSA-N
XLogP2.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.43
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

2-[(E)-(4-benzamidobutanoylhydrazinylidene)methyl]benzoic acid
CID 6892960
N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]-4-methoxybenzamide
CID 135715603
3,4-dichloro-N-[3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 135716445
N-[3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 3254883
4-methoxy-N-[3-oxo-3-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propyl]benzamide
CID 4221647
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 136794094
N,N'-bis[(2-fluorophenyl)methylideneamino]heptanediamide
CID 4059659
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[3-[2-[[2-[(2-cyanophenyl)methoxy]phenyl]methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 3471807
N-(4-oxopentyl)benzamide
CID 10798281
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 3468742) is N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NN=Cc1ccccc1CF.
What is the InChIKey of N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is IDYVJJAMECBEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-12-15-8-4-5-9-16(15)13-21-22-17(23)10-11-20-18(24)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,20,24)(H,22,23).
What are the key properties of N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide?
N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 327.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-(fluoromethyl)phenyl]methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 3468742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).