4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide

C14H20FN3O2 — CID 79394408

IUPAC4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
SMILESCOc1cc(NCCCC(=O)NC2CC2)c(N)cc1F
InChIInChI=1S/C14H20FN3O2/c1-20-13-8-12(11(16)7-10(13)15)17-6-2-3-14(19)18-9-4-5-9/h7-9,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyGNRJKEMSWKJQPK-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.89
Rot. Bonds7

About 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide

4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide (PubChem CID 79394408) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
PubChem CID79394408
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
SMILESCOc1cc(NCCCC(=O)NC2CC2)c(N)cc1F
InChIInChI=1S/C14H20FN3O2/c1-20-13-8-12(11(16)7-10(13)15)17-6-2-3-14(19)18-9-4-5-9/h7-9,17H,2-6,16H2,1H3,(H,18,19)
InChIKeyGNRJKEMSWKJQPK-UHFFFAOYSA-N
XLogP1.89
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-4-fluoro-5-methoxyanilino)butan-1-ol
CID 106840294
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopropylbutanamide
CID 79378774
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565
4-fluoro-5-methoxy-1-N-[2-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 63598542
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide?
The IUPAC name of 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide (CID 79394408) is 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide.
What is the SMILES notation for 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide?
The canonical SMILES for 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide is COc1cc(NCCCC(=O)NC2CC2)c(N)cc1F.
What is the InChIKey of 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide?
The InChIKey is GNRJKEMSWKJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-20-13-8-12(11(16)7-10(13)15)17-6-2-3-14(19)18-9-4-5-9/h7-9,17H,2-6,16H2,1H3,(H,18,19).
What are the key properties of 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide?
4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide has a molecular weight of 281.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide is sourced from PubChem (CID 79394408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).