[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate

C11H11ClN2O4 — CID 46790569

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H3,13,14,15,17)
InChIKeySFQOZFUSVJSTEH-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.08
Rot. Bonds3

About [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate (PubChem CID 46790569) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
PubChem CID46790569
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H3,13,14,15,17)
InChIKeySFQOZFUSVJSTEH-UHFFFAOYSA-N
XLogP1.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 2518726
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-nitrobenzoate
CID 7866140
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(methanesulfonamido)benzoate
CID 16543131
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 7838656
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 2638592
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-(benzenesulfonamido)benzoate
CID 16519856
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8803767

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate (CID 46790569) is [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate is CC(OC(=O)c1cccc(Cl)c1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
The InChIKey is SFQOZFUSVJSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-6(9(15)14-11(13)17)18-10(16)7-3-2-4-8(12)5-7/h2-6H,1H3,(H3,13,14,15,17).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate has a molecular weight of 270.67 g/mol, XLogP of 1.08, 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] 3-chlorobenzoate is sourced from PubChem (CID 46790569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).