N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide

C19H23FN2O2 — CID 46735854

IUPACN-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C19H23FN2O2/c1-12(18(23)22-17-11-14(21)7-10-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,21H2,1-4H3,(H,22,23)
InChIKeyOXOPDRBQDMJXSD-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.11
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide

N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 46735854) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID46735854
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C19H23FN2O2/c1-12(18(23)22-17-11-14(21)7-10-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,21H2,1-4H3,(H,22,23)
InChIKeyOXOPDRBQDMJXSD-UHFFFAOYSA-N
XLogP4.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenoxy)-N-(2,5-difluorophenyl)propanamide
CID 43024778
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
CID 103486661
N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954224

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide (CID 46735854) is N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is OXOPDRBQDMJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12(18(23)22-17-11-14(21)7-10-16(17)20)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,21H2,1-4H3,(H,22,23).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide?
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 330.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 46735854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).