methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate

C14H18FNO3 — CID 119051146

IUPACmethyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
SMILESCCC(C)N(CC(=O)OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-4-10(2)16(9-13(17)19-3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyXQDOSBKMSGHIDN-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate

methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate (PubChem CID 119051146) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
PubChem CID119051146
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate
SMILESCCC(C)N(CC(=O)OC)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c1-4-10(2)16(9-13(17)19-3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3
InChIKeyXQDOSBKMSGHIDN-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

methyl 2-[[(2S)-butan-2-yl]-(4-morpholin-4-ylbenzoyl)amino]acetate
CID 124737977
ethyl 2-[(4-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55024464
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
4-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54978956
methyl 2-[(3-fluoro-4-methylbenzoyl)-propan-2-ylamino]acetate
CID 54942287
methyl 2-[(4-chloro-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 103876685
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
CID 60779527
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
methyl 2-[(3-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 62680391
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
CID 42815477
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate (CID 119051146) is methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate is CCC(C)N(CC(=O)OC)C(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate?
The InChIKey is XQDOSBKMSGHIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-10(2)16(9-13(17)19-3)14(18)11-5-7-12(15)8-6-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate?
methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]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 methyl 2-[butan-2-yl-(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 119051146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).