methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate

C15H21FN2O3 — CID 62026089

IUPACmethyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)Nc1cccc(F)c1)C(C)C
InChIInChI=1S/C15H21FN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYAFJWYKMJZDWSU-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.04
Rot. Bonds7

About methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate

methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate (PubChem CID 62026089) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
PubChem CID62026089
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(CCC(=O)Nc1cccc(F)c1)C(C)C
InChIInChI=1S/C15H21FN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19)
InChIKeyYAFJWYKMJZDWSU-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[3-(3-chloroanilino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62027581
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate (CID 62026089) is methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate is COC(=O)CN(CCC(=O)Nc1cccc(F)c1)C(C)C.
What is the InChIKey of methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
The InChIKey is YAFJWYKMJZDWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(2)18(10-15(20)21-3)8-7-14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate?
methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate has a molecular weight of 296.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-fluoroanilino)-3-oxopropyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).