methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate

C11H11ClFNO4 — CID 81462130

IUPACmethyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C11H11ClFNO4/c1-18-11(17)8(5-15)14-10(16)6-3-2-4-7(13)9(6)12/h2-4,8,15H,5H2,1H3,(H,14,16)
InChIKeyRNHSVYRUZDQHQY-UHFFFAOYSA-N
MW275.66 g/mol
LogP0.74
Rot. Bonds4

About methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate

methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate (PubChem CID 81462130) has the molecular formula C11H11ClFNO4 and a molecular weight of 275.66 g/mol. Its IUPAC name is methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
PubChem CID81462130
Molecular FormulaC11H11ClFNO4
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Namemethyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C11H11ClFNO4/c1-18-11(17)8(5-15)14-10(16)6-3-2-4-7(13)9(6)12/h2-4,8,15H,5H2,1H3,(H,14,16)
InChIKeyRNHSVYRUZDQHQY-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate (CID 81462130) is methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1cccc(F)c1Cl.
What is the InChIKey of methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate?
The InChIKey is RNHSVYRUZDQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO4/c1-18-11(17)8(5-15)14-10(16)6-3-2-4-7(13)9(6)12/h2-4,8,15H,5H2,1H3,(H,14,16).
What are the key properties of methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate?
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate has a molecular weight of 275.66 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 81462130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).