N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide

C12H16F2N2O3 — CID 82005336

IUPACN-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)OCC(F)F)c(N)c1
InChIInChI=1S/C12H16F2N2O3/c1-7(19-6-11(13)14)12(17)16-10-4-3-8(18-2)5-9(10)15/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyWYAMAQYDCFQSAW-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.89
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide

N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide (PubChem CID 82005336) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
PubChem CID82005336
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)C(C)OCC(F)F)c(N)c1
InChIInChI=1S/C12H16F2N2O3/c1-7(19-6-11(13)14)12(17)16-10-4-3-8(18-2)5-9(10)15/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyWYAMAQYDCFQSAW-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66321735
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
N-(2-amino-5-methoxyphenyl)-2-(3-methylbutoxy)propanamide
CID 119421306
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
N-(2-amino-4-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)propanamide
CID 79683036
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethoxy)propanamide
CID 119421324
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide (CID 82005336) is N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide is COc1ccc(NC(=O)C(C)OCC(F)F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide?
The InChIKey is WYAMAQYDCFQSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-7(19-6-11(13)14)12(17)16-10-4-3-8(18-2)5-9(10)15/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide?
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide has a molecular weight of 274.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 82005336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).