[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate

C11H10BrClN2O4 — CID 16524612

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
SMILESCC(OC(=O)c1cc(Br)ccc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10BrClN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyCIQCNPWGBRUDEK-UHFFFAOYSA-N
MW349.57 g/mol
LogP1.84
Rot. Bonds3

About [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate (PubChem CID 16524612) has the molecular formula C11H10BrClN2O4 and a molecular weight of 349.57 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
PubChem CID16524612
Molecular FormulaC11H10BrClN2O4
Molecular Weight349.57 g/mol
Exact Mass347.95
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
SMILESCC(OC(=O)c1cc(Br)ccc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10BrClN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyCIQCNPWGBRUDEK-UHFFFAOYSA-N
XLogP1.84
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-bromo-2-chlorobenzoate
CID 18080378
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate
CID 2638016
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529443
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524618
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 4542283
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987330
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 7762575
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 7762534
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 55417719

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate (CID 16524612) is [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate is CC(OC(=O)c1cc(Br)ccc1Cl)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate?
The InChIKey is CIQCNPWGBRUDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H3,14,15,16,18).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate has a molecular weight of 349.57 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate is sourced from PubChem (CID 16524612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).