ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate

C14H18FNO3 — CID 55024464

IUPACethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H18FNO3/c1-4-19-13(17)9-16(10(2)3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyDLYITVPWMGWSMR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.24
Rot. Bonds5

About ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate

ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate (PubChem CID 55024464) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
PubChem CID55024464
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H18FNO3/c1-4-19-13(17)9-16(10(2)3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyDLYITVPWMGWSMR-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-[(3-fluoro-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61022662
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
CID 119051146
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
ethyl 2-[2,3-dihydro-1H-indene-5-carbonyl(propan-2-yl)amino]acetate
CID 61021441
ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
ethyl 2-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]-propan-2-ylamino]acetate
CID 56547990
ethyl 2-[1,2-oxazole-5-carbonyl(propan-2-yl)amino]acetate
CID 54896874
ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
CID 55983785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate (CID 55024464) is ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate?
The InChIKey is DLYITVPWMGWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-19-13(17)9-16(10(2)3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate?
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate has a molecular weight of 267.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 55024464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).