2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide

C15H24FN3O2 — CID 63071874

IUPAC2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
SMILESCOCCNCc1cc(F)ccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C15H24FN3O2/c1-11(2)19(10-15(17)20)14-5-4-13(16)8-12(14)9-18-6-7-21-3/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyCUGBBNUPKHXLCQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.26
Rot. Bonds9

About 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide

2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide (PubChem CID 63071874) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
PubChem CID63071874
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide
SMILESCOCCNCc1cc(F)ccc1N(CC(N)=O)C(C)C
InChIInChI=1S/C15H24FN3O2/c1-11(2)19(10-15(17)20)14-5-4-13(16)8-12(14)9-18-6-7-21-3/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,20)
InChIKeyCUGBBNUPKHXLCQ-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]propan-2-ol
CID 55147418
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
CID 63072063
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156
N-(2,2-dimethylpropyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63071895
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 63060764
4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 115986356
2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-5-fluorobenzoic acid
CID 54989181
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
2-(2-carbamothioyl-4-fluoro-N-propan-2-ylanilino)acetamide
CID 63674904
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
2-(ethylaminomethyl)-4-fluoro-N-propan-2-yl-N-propylaniline
CID 43313953

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide (CID 63071874) is 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide is COCCNCc1cc(F)ccc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide?
The InChIKey is CUGBBNUPKHXLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-11(2)19(10-15(17)20)14-5-4-13(16)8-12(14)9-18-6-7-21-3/h4-5,8,11,18H,6-7,9-10H2,1-3H3,(H2,17,20).
What are the key properties of 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide?
2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide has a molecular weight of 297.37 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 63071874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).