2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide

C10H13F2N3O2 — CID 77030017

IUPAC2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1OC(F)F)C(N)=NO
InChIInChI=1S/C10H13F2N3O2/c1-6(9(13)15-16)14-7-4-2-3-5-8(7)17-10(11)12/h2-6,10,14,16H,1H3,(H2,13,15)
InChIKeyVEBKZZZILZCUAQ-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide

2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide (PubChem CID 77030017) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
PubChem CID77030017
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
SMILESCC(Nc1ccccc1OC(F)F)C(N)=NO
InChIInChI=1S/C10H13F2N3O2/c1-6(9(13)15-16)14-7-4-2-3-5-8(7)17-10(11)12/h2-6,10,14,16H,1H3,(H2,13,15)
InChIKeyVEBKZZZILZCUAQ-UHFFFAOYSA-N
XLogP1.83
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
2-[2-(difluoromethoxy)anilino]-N-(3-methylbutyl)propanamide
CID 43244384
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
2-anilino-N'-hydroxypropanimidamide
CID 77025272
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
CID 107705148
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
2-(2,6-difluoroanilino)-N'-hydroxypropanimidamide
CID 77028561
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917
1-[2-(difluoromethoxy)phenyl]-3-[(2S)-3,3-dimethylbutan-2-yl]thiourea
CID 2384385

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide (CID 77030017) is 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide is CC(Nc1ccccc1OC(F)F)C(N)=NO.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide?
The InChIKey is VEBKZZZILZCUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-6(9(13)15-16)14-7-4-2-3-5-8(7)17-10(11)12/h2-6,10,14,16H,1H3,(H2,13,15).
What are the key properties of 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide?
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide has a molecular weight of 245.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77030017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).