3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide

C13H18F3N3O2 — CID 106914404

IUPAC3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C13H18F3N3O2/c1-7(12(20)18-2)6-19(3)10-5-11(21-13(15)16)8(14)4-9(10)17/h4-5,7,13H,6,17H2,1-3H3,(H,18,20)
InChIKeyWNGOCKCKBQPPCQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.83
Rot. Bonds6

About 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide

3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide (PubChem CID 106914404) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
PubChem CID106914404
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C13H18F3N3O2/c1-7(12(20)18-2)6-19(3)10-5-11(21-13(15)16)8(14)4-9(10)17/h4-5,7,13H,6,17H2,1-3H3,(H,18,20)
InChIKeyWNGOCKCKBQPPCQ-UHFFFAOYSA-N
XLogP1.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide 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

Ucm 793
CID 24750192
Quinoxalinone deriv. 6l
CID 5327802
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 1342622
N-[2{(3-Methoxyphenyl)-amino]ethyl}acetamide
CID 24750070
N-[(S)-1-(3-Methoxy-phenyl)-pyrrolidin-3-yl]-butyramide
CID 25270146
N-[(3S)-1-[3-(trifluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53316987
N-[(3S)-1-[3-(difluoromethoxy)phenyl]piperidin-3-yl]cyclopropanecarboxamide
CID 53320893
2,3-Bis(diethylamino)-N-(3-methoxyphenyl)propanimidic acid
CID 3060968
N-[2-[3-(4-aminobutoxy)-N-methylanilino]ethyl]acetamide
CID 145974583
3-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 535735

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide (CID 106914404) is 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide?
The InChIKey is WNGOCKCKBQPPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-7(12(20)18-2)6-19(3)10-5-11(21-13(15)16)8(14)4-9(10)17/h4-5,7,13H,6,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide?
3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide has a molecular weight of 305.30 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).