2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide

C13H20FN3O2 — CID 107259478

IUPAC2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
SMILESCOc1cc(NCC(=O)NC(C)(C)C)c(F)cc1N
InChIInChI=1S/C13H20FN3O2/c1-13(2,3)17-12(18)7-16-10-6-11(19-4)9(15)5-8(10)14/h5-6,16H,7,15H2,1-4H3,(H,17,18)
InChIKeyPVFVSGPAZDMGAV-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide

2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide (PubChem CID 107259478) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
PubChem CID107259478
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
SMILESCOc1cc(NCC(=O)NC(C)(C)C)c(F)cc1N
InChIInChI=1S/C13H20FN3O2/c1-13(2,3)17-12(18)7-16-10-6-11(19-4)9(15)5-8(10)14/h5-6,16H,7,15H2,1-4H3,(H,17,18)
InChIKeyPVFVSGPAZDMGAV-UHFFFAOYSA-N
XLogP1.74
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
N-tert-butyl-2-(4-cyano-2-methoxyanilino)acetamide
CID 104848764
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
1-(4-amino-2-fluoro-5-methoxyanilino)-2,4-dimethylpentan-2-ol
CID 107259384
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
CID 115356360
2-fluoro-1-N-[(4-fluorophenyl)methyl]-5-methoxybenzene-1,4-diamine
CID 107258646
1-N-benzyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258625
4-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120262
[1-[(4-amino-2-fluoro-5-methoxyanilino)methyl]cyclopropyl]methanol
CID 107259483

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide (CID 107259478) is 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide is COc1cc(NCC(=O)NC(C)(C)C)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide?
The InChIKey is PVFVSGPAZDMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-13(2,3)17-12(18)7-16-10-6-11(19-4)9(15)5-8(10)14/h5-6,16H,7,15H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide?
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide has a molecular weight of 269.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide is sourced from PubChem (CID 107259478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).