ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate

C15H19BrFNO3 — CID 114559509

IUPACethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H19BrFNO3/c1-4-21-13(19)9-18(8-10(2)3)15(20)14-11(16)6-5-7-12(14)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyREMDAVOOQWUGHM-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate (PubChem CID 114559509) has the molecular formula C15H19BrFNO3 and a molecular weight of 360.22 g/mol. Its IUPAC name is ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
PubChem CID114559509
Molecular FormulaC15H19BrFNO3
Molecular Weight360.22 g/mol
Exact Mass359.05
IUPAC Nameethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H19BrFNO3/c1-4-21-13(19)9-18(8-10(2)3)15(20)14-11(16)6-5-7-12(14)17/h5-7,10H,4,8-9H2,1-3H3
InChIKeyREMDAVOOQWUGHM-UHFFFAOYSA-N
XLogP3.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-N-ethyl-6-fluorobenzamide
CID 114559245
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
N-(2-amino-2-oxoethyl)-2-bromo-6-fluoro-N-propan-2-ylbenzamide
CID 115678505
ethyl 2-(2-bromo-6-fluorophenyl)-2-oxoacetate
CID 74889471
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
2-bromo-6-fluoro-N,N-bis(prop-2-enyl)benzamide
CID 114559340
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2-bromo-N-(2,2-difluoroethyl)-6-fluoro-N-(2-hydroxyethyl)benzamide
CID 107479991
ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 61052918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate (CID 114559509) is ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1c(F)cccc1Br.
What is the InChIKey of ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate?
The InChIKey is REMDAVOOQWUGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO3/c1-4-21-13(19)9-18(8-10(2)3)15(20)14-11(16)6-5-7-12(14)17/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate has a molecular weight of 360.22 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 114559509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).