2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide

C14H22FN3O2 — CID 106343903

IUPAC2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
SMILESCC(C)Oc1cc(NC(C(N)=O)C(C)C)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-7(2)13(14(17)19)18-11-6-12(20-8(3)4)9(15)5-10(11)16/h5-8,13,18H,16H2,1-4H3,(H2,17,19)
InChIKeyGCQPJSOSTMMIRA-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide

2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide (PubChem CID 106343903) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
PubChem CID106343903
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
SMILESCC(C)Oc1cc(NC(C(N)=O)C(C)C)c(N)cc1F
InChIInChI=1S/C14H22FN3O2/c1-7(2)13(14(17)19)18-11-6-12(20-8(3)4)9(15)5-10(11)16/h5-8,13,18H,16H2,1-4H3,(H2,17,19)
InChIKeyGCQPJSOSTMMIRA-UHFFFAOYSA-N
XLogP2.12
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.12
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

2-(2-amino-4-fluoro-5-methoxyanilino)-3-methylbutanamide
CID 106343926
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63592232
1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593496
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide (CID 106343903) is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide is CC(C)Oc1cc(NC(C(N)=O)C(C)C)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide?
The InChIKey is GCQPJSOSTMMIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-7(2)13(14(17)19)18-11-6-12(20-8(3)4)9(15)5-10(11)16/h5-8,13,18H,16H2,1-4H3,(H2,17,19).
What are the key properties of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide?
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide has a molecular weight of 283.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide is sourced from PubChem (CID 106343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).