2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide

C10H12F2N2O2 — CID 63599530

IUPAC2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(F)c(N)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-14(2)10(15)5-16-9-4-6(11)8(13)3-7(9)12/h3-4H,5,13H2,1-2H3
InChIKeyNQXDHJWMSBPFJR-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.01
Rot. Bonds3

About 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide

2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide (PubChem CID 63599530) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
PubChem CID63599530
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(F)c(N)cc1F
InChIInChI=1S/C10H12F2N2O2/c1-14(2)10(15)5-16-9-4-6(11)8(13)3-7(9)12/h3-4H,5,13H2,1-2H3
InChIKeyNQXDHJWMSBPFJR-UHFFFAOYSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylacetamide
CID 107665283
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
2-(2-amino-4-methoxyphenoxy)-N,N-dimethylacetamide
CID 16771171
2-[4,5-dibromo-2-[2-(dimethylamino)-2-oxoethoxy]phenoxy]-N,N-dimethylacetamide
CID 134970265
2-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
methyl 4-amino-3-[2-(dimethylamino)-2-oxoethoxy]benzoate
CID 43380196
2-(4-amino-2-fluorophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43259288
2-(2-amino-5-ethoxy-4-fluoro-N-methylanilino)acetamide
CID 63592682
4-[2-(dimethylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
CID 79888631

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide (CID 63599530) is 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide?
The InChIKey is NQXDHJWMSBPFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-14(2)10(15)5-16-9-4-6(11)8(13)3-7(9)12/h3-4H,5,13H2,1-2H3.
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide?
2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide has a molecular weight of 230.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 63599530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).