N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide

C20H31FN2O2 — CID 57220641

IUPACN-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
SMILESCCCCCCCCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C20H31FN2O2/c1-5-6-7-8-9-10-14-18(24)22-23(20(2,3)4)19(25)16-12-11-13-17(21)15-16/h11-13,15H,5-10,14H2,1-4H3,(H,22,24)
InChIKeyVZAFJHQRMBGEBU-UHFFFAOYSA-N
MW350.48 g/mol
LogP4.85
Rot. Bonds8

About N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide

N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide (PubChem CID 57220641) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
PubChem CID57220641
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC NameN-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide
SMILESCCCCCCCCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C20H31FN2O2/c1-5-6-7-8-9-10-14-18(24)22-23(20(2,3)4)19(25)16-12-11-13-17(21)15-16/h11-13,15H,5-10,14H2,1-4H3,(H,22,24)
InChIKeyVZAFJHQRMBGEBU-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-fluoro-N'-non-5-ynoylbenzohydrazide
CID 67921828
N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
N'-but-3-enoyl-N-tert-butyl-3-fluorobenzohydrazide
CID 67922185
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
3-fluoro-N-octadecylbenzamide
CID 91711883
N'-tert-butyl-3-fluoro-N'-hept-2-ynoylbenzohydrazide
CID 67922133
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
N'-tert-butyl-N'-decanoylbenzohydrazide
CID 67921881
N'-tert-butyl-N'-undecanoylbenzohydrazide
CID 67922028
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
heptadecyl 3-fluorobenzoate
CID 588123
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide?
The IUPAC name of N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide (CID 57220641) is N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide.
What is the SMILES notation for N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide?
The canonical SMILES for N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide is CCCCCCCCC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide?
The InChIKey is VZAFJHQRMBGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-5-6-7-8-9-10-14-18(24)22-23(20(2,3)4)19(25)16-12-11-13-17(21)15-16/h11-13,15H,5-10,14H2,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide?
N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide has a molecular weight of 350.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-N'-nonanoylbenzohydrazide is sourced from PubChem (CID 57220641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).