N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide

C12H13ClF4N2O2 — CID 29004297

IUPACN-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESNc1ccc(NC(=O)CCOCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF4N2O2/c13-8-5-7(18)1-2-9(8)19-10(20)3-4-21-6-12(16,17)11(14)15/h1-2,5,11H,3-4,6,18H2,(H,19,20)
InChIKeyJLUGTTIHCUQYKI-UHFFFAOYSA-N
MW328.69 g/mol
LogP3.17
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide

N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide (PubChem CID 29004297) has the molecular formula C12H13ClF4N2O2 and a molecular weight of 328.69 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
PubChem CID29004297
Molecular FormulaC12H13ClF4N2O2
Molecular Weight328.69 g/mol
Exact Mass328.06
IUPAC NameN-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide
SMILESNc1ccc(NC(=O)CCOCC(F)(F)C(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF4N2O2/c13-8-5-7(18)1-2-9(8)19-10(20)3-4-21-6-12(16,17)11(14)15/h1-2,5,11H,3-4,6,18H2,(H,19,20)
InChIKeyJLUGTTIHCUQYKI-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.69
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(5-amino-2-fluorophenyl)-3-(2-cyclopropylethoxy)propanamide
CID 106199880
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-chlorophenyl)-3-(3-methylbutylsulfanyl)propanamide
CID 107749068
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(2-amino-4-hydroxyphenyl)-3-(2,2-difluoroethoxy)propanamide
CID 107697254
N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004312
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide (CID 29004297) is N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide is Nc1ccc(NC(=O)CCOCC(F)(F)C(F)F)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
The InChIKey is JLUGTTIHCUQYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF4N2O2/c13-8-5-7(18)1-2-9(8)19-10(20)3-4-21-6-12(16,17)11(14)15/h1-2,5,11H,3-4,6,18H2,(H,19,20).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide?
N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide has a molecular weight of 328.69 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propanamide is sourced from PubChem (CID 29004297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).