[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate

C11H10ClFN2O4 — CID 16529443

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
SMILESCC(OC(=O)c1ccc(F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10ClFN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-3-2-6(13)4-8(7)12/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyMROHIPWIMSDTLW-UHFFFAOYSA-N
MW288.66 g/mol
LogP1.22
Rot. Bonds3

About [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate (PubChem CID 16529443) has the molecular formula C11H10ClFN2O4 and a molecular weight of 288.66 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
PubChem CID16529443
Molecular FormulaC11H10ClFN2O4
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
SMILESCC(OC(=O)c1ccc(F)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C11H10ClFN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-3-2-6(13)4-8(7)12/h2-5H,1H3,(H3,14,15,16,18)
InChIKeyMROHIPWIMSDTLW-UHFFFAOYSA-N
XLogP1.22
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987330
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 8764079
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate
CID 2638016
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570271
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529440
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524612
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570057
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 7825887
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 4652502

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate (CID 16529443) is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate is CC(OC(=O)c1ccc(F)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The InChIKey is MROHIPWIMSDTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4/c1-5(9(16)15-11(14)18)19-10(17)7-3-2-6(13)4-8(7)12/h2-5H,1H3,(H3,14,15,16,18).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate has a molecular weight of 288.66 g/mol, XLogP of 1.22, 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] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 16529443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).