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

C12H18FN3O2 — CID 107258957

IUPAC2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-4-15-12(17)7(2)16-10-6-11(18-3)9(14)5-8(10)13/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyHNRUVMSTMVRZPO-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.35
Rot. Bonds5

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

2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide (PubChem CID 107258957) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
PubChem CID107258957
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(OC)c(N)cc1F
InChIInChI=1S/C12H18FN3O2/c1-4-15-12(17)7(2)16-10-6-11(18-3)9(14)5-8(10)13/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyHNRUVMSTMVRZPO-UHFFFAOYSA-N
XLogP1.35
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.35
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

(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
2-(2-amino-4-fluoroanilino)-N-ethylpropanamide
CID 61476098
2-fluoro-5-methoxy-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 107258627
N-ethyl-2-(2-fluoro-4-sulfamoylanilino)propanamide
CID 60713055
4-(4-amino-2-fluoro-5-methoxyanilino)butan-2-ol
CID 107259327
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
4-amino-3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 63356519
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-(4-amino-2-fluoro-5-methoxyanilino)-N-tert-butylacetamide
CID 107259478
1-(4-amino-2-fluoro-5-methoxyphenyl)propan-1-one
CID 167626065
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide?
The IUPAC name of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide (CID 107258957) is 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(OC)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide?
The InChIKey is HNRUVMSTMVRZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-4-15-12(17)7(2)16-10-6-11(18-3)9(14)5-8(10)13/h5-7,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide?
2-(4-amino-2-fluoro-5-methoxyanilino)-N-ethylpropanamide has a molecular weight of 255.29 g/mol, XLogP of 1.35, 5 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-ethylpropanamide is sourced from PubChem (CID 107258957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).