2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide

C11H13F2N3O2 — CID 175874280

IUPAC2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
SMILESCCC(=NNc1ccc(OC(F)F)cc1)C(N)=O
InChIInChI=1S/C11H13F2N3O2/c1-2-9(10(14)17)16-15-7-3-5-8(6-4-7)18-11(12)13/h3-6,11,15H,2H2,1H3,(H2,14,17)
InChIKeyVWDXQTUTCNIQRY-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.95
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide

2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide (PubChem CID 175874280) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
PubChem CID175874280
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
SMILESCCC(=NNc1ccc(OC(F)F)cc1)C(N)=O
InChIInChI=1S/C11H13F2N3O2/c1-2-9(10(14)17)16-15-7-3-5-8(6-4-7)18-11(12)13/h3-6,11,15H,2H2,1H3,(H2,14,17)
InChIKeyVWDXQTUTCNIQRY-UHFFFAOYSA-N
XLogP1.95
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
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

ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 86674809
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(1Z)-2-amino-N-[4-(difluoromethoxy)anilino]-2-iminoethanimidoyl cyanide
CID 172931759
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
N'-[4-(difluoromethoxy)phenyl]acetohydrazide
CID 174866017
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
CID 103237096
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide (CID 175874280) is 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide is CCC(=NNc1ccc(OC(F)F)cc1)C(N)=O.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide?
The InChIKey is VWDXQTUTCNIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-2-9(10(14)17)16-15-7-3-5-8(6-4-7)18-11(12)13/h3-6,11,15H,2H2,1H3,(H2,14,17).
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide?
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide has a molecular weight of 257.24 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide is sourced from PubChem (CID 175874280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).