methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate

C10H9ClFNO3 — CID 43701749

IUPACmethyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)CCl
InChIInChI=1S/C10H9ClFNO3/c1-16-10(15)7-3-2-6(12)4-8(7)13-9(14)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyNARATICLGYOERX-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate

methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate (PubChem CID 43701749) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
PubChem CID43701749
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Namemethyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1NC(=O)CCl
InChIInChI=1S/C10H9ClFNO3/c1-16-10(15)7-3-2-6(12)4-8(7)13-9(14)5-11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyNARATICLGYOERX-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-(ethylamino)propanoylamino]-4-fluorobenzoate
CID 55121672
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-fluorobenzoate
CID 60850158
methyl 2-[(5-amino-4-methylpentanoyl)amino]-4-fluorobenzoate
CID 82012104
methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
methyl 5-fluoro-2-(propanoylamino)benzoate
CID 60787953
methyl 4-fluoro-2-(1,2,2-tricyanoethenylamino)benzoate
CID 168606547
methyl 4-fluoro-2-[(4-iodobenzoyl)amino]benzoate
CID 60787444
methyl 5-[(2-chloroacetyl)amino]-2-fluorobenzoate
CID 43346810
methyl 2-[(1-aminocyclopropanecarbonyl)amino]-4-fluorobenzoate
CID 65464443
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate?
The IUPAC name of methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate (CID 43701749) is methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate is COC(=O)c1ccc(F)cc1NC(=O)CCl.
What is the InChIKey of methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate?
The InChIKey is NARATICLGYOERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-16-10(15)7-3-2-6(12)4-8(7)13-9(14)5-11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate?
methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate has a molecular weight of 245.64 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloroacetyl)amino]-4-fluorobenzoate is sourced from PubChem (CID 43701749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).