2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide

C14H20FN3O2 — CID 63594191

IUPAC2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
SMILESCC(C)Oc1cc(NCC(=O)NC2CC2)c(N)cc1F
InChIInChI=1S/C14H20FN3O2/c1-8(2)20-13-6-12(11(16)5-10(13)15)17-7-14(19)18-9-3-4-9/h5-6,8-9,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyYJUCTTGJDMSUNZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.89
Rot. Bonds6

About 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide

2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide (PubChem CID 63594191) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
PubChem CID63594191
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
SMILESCC(C)Oc1cc(NCC(=O)NC2CC2)c(N)cc1F
InChIInChI=1S/C14H20FN3O2/c1-8(2)20-13-6-12(11(16)5-10(13)15)17-7-14(19)18-9-3-4-9/h5-6,8-9,17H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyYJUCTTGJDMSUNZ-UHFFFAOYSA-N
XLogP1.89
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.89
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-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
CID 79394408
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
CID 65102598
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568215
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide (CID 63594191) is 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide is CC(C)Oc1cc(NCC(=O)NC2CC2)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide?
The InChIKey is YJUCTTGJDMSUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-8(2)20-13-6-12(11(16)5-10(13)15)17-7-14(19)18-9-3-4-9/h5-6,8-9,17H,3-4,7,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide?
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide has a molecular weight of 281.33 g/mol, XLogP of 1.89, 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)-N-cyclopropylacetamide is sourced from PubChem (CID 63594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).