[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

C15H18BrClN2O4 — CID 2630424

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2O4/c1-9(2)5-6-18-15(22)19-13(20)8-23-14(21)11-7-10(16)3-4-12(11)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,20,22)
InChIKeyQQUJMJGYVINTNI-UHFFFAOYSA-N
MW405.68 g/mol
LogP3.13
Rot. Bonds6

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (PubChem CID 2630424) has the molecular formula C15H18BrClN2O4 and a molecular weight of 405.68 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
PubChem CID2630424
Molecular FormulaC15H18BrClN2O4
Molecular Weight405.68 g/mol
Exact Mass404.01
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H18BrClN2O4/c1-9(2)5-6-18-15(22)19-13(20)8-23-14(21)11-7-10(16)3-4-12(11)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,20,22)
InChIKeyQQUJMJGYVINTNI-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate with MolForge

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
[2-(3-methylbutylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149206
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604174
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 9081222
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950546
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149238

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate (CID 2630424) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate is CC(C)CCNC(=O)NC(=O)COC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
The InChIKey is QQUJMJGYVINTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O4/c1-9(2)5-6-18-15(22)19-13(20)8-23-14(21)11-7-10(16)3-4-12(11)17/h3-4,7,9H,5-6,8H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate has a molecular weight of 405.68 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 2630424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).