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

C10H9ClFNO3 — CID 2570251

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H9ClFNO3/c1-5(9(13)14)16-10(15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1
InChIKeyAVWPYDOHATXCGZ-RXMQYKEDSA-N
MW245.64 g/mol
LogP1.51
Rot. Bonds3

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

[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate (PubChem CID 2570251) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
PubChem CID2570251
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(F)cc1Cl)C(N)=O
InChIInChI=1S/C10H9ClFNO3/c1-5(9(13)14)16-10(15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1
InChIKeyAVWPYDOHATXCGZ-RXMQYKEDSA-N
XLogP1.51
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529443
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 7825943
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 8764079
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529440
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570271
[(2S)-1-amino-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate
CID 2103450
[(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
ethyl 5-[(2R)-2-(2-chloro-4-fluorobenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8764271
[1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 55358131
[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 [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate (CID 2570251) is [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate is C[C@@H](OC(=O)c1ccc(F)cc1Cl)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
The InChIKey is AVWPYDOHATXCGZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-5(9(13)14)16-10(15)7-3-2-6(12)4-8(7)11/h2-5H,1H3,(H2,13,14)/t5-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate has a molecular weight of 245.64 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2570251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).