ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate

C15H18BrNO4 — CID 78987795

IUPACethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(Br)cc1OC)C1CC1
InChIInChI=1S/C15H18BrNO4/c1-3-21-14(18)9-17(11-5-6-11)15(19)12-7-4-10(16)8-13(12)20-2/h4,7-8,11H,3,5-6,9H2,1-2H3
InChIKeyAXRNUJFUJGLTAA-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.63
Rot. Bonds6

About ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate

ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate (PubChem CID 78987795) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
PubChem CID78987795
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Nameethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(Br)cc1OC)C1CC1
InChIInChI=1S/C15H18BrNO4/c1-3-21-14(18)9-17(11-5-6-11)15(19)12-7-4-10(16)8-13(12)20-2/h4,7-8,11H,3,5-6,9H2,1-2H3
InChIKeyAXRNUJFUJGLTAA-UHFFFAOYSA-N
XLogP2.63
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-bromoethyl)-N-cyclopropyl-2-methoxybenzamide
CID 113296216
ethyl 2-[(4-bromo-2-methoxybenzoyl)-propylamino]acetate
CID 78987800
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
4-bromo-N-cyclopropyl-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 78987908
ethyl 2-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]acetate
CID 65434241
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
4-bromo-N-(1-ethylpiperidin-4-yl)-2-methoxy-N-methylbenzamide
CID 115369193
ethyl 2-[cyclopropyl-[2-(methoxymethyl)benzoyl]amino]acetate
CID 61410098
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate (CID 78987795) is ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)c1ccc(Br)cc1OC)C1CC1.
What is the InChIKey of ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate?
The InChIKey is AXRNUJFUJGLTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-3-21-14(18)9-17(11-5-6-11)15(19)12-7-4-10(16)8-13(12)20-2/h4,7-8,11H,3,5-6,9H2,1-2H3.
What are the key properties of ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate?
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate has a molecular weight of 356.22 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate is sourced from PubChem (CID 78987795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).