N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide

C22H15F2N3O2 — CID 166209290

IUPACN'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C22H15F2N3O2/c1-13-10-17(23)7-9-18(13)19-8-6-16(11-20(19)24)22(29)27-26-21(28)15-4-2-14(12-25)3-5-15/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeyHNXHBYIEHWCXPF-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.89
Rot. Bonds3

About N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide

N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide (PubChem CID 166209290) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
PubChem CID166209290
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC NameN'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1F
InChIInChI=1S/C22H15F2N3O2/c1-13-10-17(23)7-9-18(13)19-8-6-16(11-20(19)24)22(29)27-26-21(28)15-4-2-14(12-25)3-5-15/h2-11H,1H3,(H,26,28)(H,27,29)
InChIKeyHNXHBYIEHWCXPF-UHFFFAOYSA-N
XLogP3.89
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
CID 75498506
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 99808858
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541
4-cyano-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 7760973
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide?
The IUPAC name of N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide (CID 166209290) is N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide.
What is the SMILES notation for N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide?
The canonical SMILES for N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide is Cc1cc(F)ccc1-c1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1F.
What is the InChIKey of N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide?
The InChIKey is HNXHBYIEHWCXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-13-10-17(23)7-9-18(13)19-8-6-16(11-20(19)24)22(29)27-26-21(28)15-4-2-14(12-25)3-5-15/h2-11H,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide?
N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide has a molecular weight of 391.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide is sourced from PubChem (CID 166209290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).