methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate

C11H12FNO5 — CID 79346581

IUPACmethyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)OCCO)c1
InChIInChI=1S/C11H12FNO5/c1-17-10(15)7-2-3-8(12)9(6-7)13-11(16)18-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,16)
InChIKeyDSCARUCSALDCLA-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.15
Rot. Bonds4

About methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate

methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate (PubChem CID 79346581) has the molecular formula C11H12FNO5 and a molecular weight of 257.22 g/mol. Its IUPAC name is methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
PubChem CID79346581
Molecular FormulaC11H12FNO5
Molecular Weight257.22 g/mol
Exact Mass257.07
IUPAC Namemethyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate
SMILESCOC(=O)c1ccc(F)c(NC(=O)OCCO)c1
InChIInChI=1S/C11H12FNO5/c1-17-10(15)7-2-3-8(12)9(6-7)13-11(16)18-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,16)
InChIKeyDSCARUCSALDCLA-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
methyl 3-(4-aminobutanoylamino)-4-fluorobenzoate;hydrochloride
CID 119278007
methyl 3-[[(2R)-2-aminopropanoyl]amino]-4-fluorobenzoate;hydrochloride
CID 119278003
methyl 4-fluoro-3-(hexanoylamino)benzoate
CID 78840494
methyl 3-[(2-amino-3-methylpentanoyl)amino]-4-fluorobenzoate
CID 43703145
methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167
methyl 4-fluoro-3-[(2-propan-2-yloxyacetyl)amino]benzoate
CID 47418207
methyl 3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzoate
CID 61179435
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 4-fluoro-3-(pentylamino)benzoate
CID 43684380
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate?
The IUPAC name of methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate (CID 79346581) is methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate.
What is the SMILES notation for methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate?
The canonical SMILES for methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate is COC(=O)c1ccc(F)c(NC(=O)OCCO)c1.
What is the InChIKey of methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate?
The InChIKey is DSCARUCSALDCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5/c1-17-10(15)7-2-3-8(12)9(6-7)13-11(16)18-5-4-14/h2-3,6,14H,4-5H2,1H3,(H,13,16).
What are the key properties of methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate?
methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate has a molecular weight of 257.22 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-(2-hydroxyethoxycarbonylamino)benzoate is sourced from PubChem (CID 79346581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).