4-[4-(difluoromethoxy)anilino]-N-methylbutanamide

C12H16F2N2O2 — CID 63892048

IUPAC4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O2/c1-15-11(17)3-2-8-16-9-4-6-10(7-5-9)18-12(13)14/h4-7,12,16H,2-3,8H2,1H3,(H,15,17)
InChIKeyYHVDDFMFPRPTJG-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.23
Rot. Bonds7

About 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide

4-[4-(difluoromethoxy)anilino]-N-methylbutanamide (PubChem CID 63892048) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
PubChem CID63892048
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H16F2N2O2/c1-15-11(17)3-2-8-16-9-4-6-10(7-5-9)18-12(13)14/h4-7,12,16H,2-3,8H2,1H3,(H,15,17)
InChIKeyYHVDDFMFPRPTJG-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
6-[4-(difluoromethoxy)anilino]hexan-1-ol
CID 113264757
(Z)-4-[4-(difluoromethoxy)anilino]-2-methylbut-2-enoic acid
CID 103237095
N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 119734504
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
CID 103237096
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide?
The IUPAC name of 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide (CID 63892048) is 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide.
What is the SMILES notation for 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide?
The canonical SMILES for 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide is CNC(=O)CCCNc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide?
The InChIKey is YHVDDFMFPRPTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-15-11(17)3-2-8-16-9-4-6-10(7-5-9)18-12(13)14/h4-7,12,16H,2-3,8H2,1H3,(H,15,17).
What are the key properties of 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide?
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide has a molecular weight of 258.27 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)anilino]-N-methylbutanamide is sourced from PubChem (CID 63892048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).