2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

C11H11FN2O5 — CID 114002321

IUPAC2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H11FN2O5/c1-19-9(15)5-13-11(18)14-6-2-3-7(10(16)17)8(12)4-6/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyMDPYFQNTKVJFDL-UHFFFAOYSA-N
MW270.22 g/mol
LogP0.82
Rot. Bonds4

About 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid

2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (PubChem CID 114002321) has the molecular formula C11H11FN2O5 and a molecular weight of 270.22 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
PubChem CID114002321
Molecular FormulaC11H11FN2O5
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CNC(=O)Nc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C11H11FN2O5/c1-19-9(15)5-13-11(18)14-6-2-3-7(10(16)17)8(12)4-6/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyMDPYFQNTKVJFDL-UHFFFAOYSA-N
XLogP0.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
2-fluoro-4-(pentylcarbamoylamino)benzoic acid
CID 107795733
4-[2-(dimethylamino)ethylcarbamoylamino]-2-fluorobenzoic acid
CID 107795716
2-fluoro-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]benzoic acid
CID 107795694
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
methyl 2-[(3-bromophenyl)carbamoylamino]acetate
CID 108870222
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
4-[(3-fluoro-4-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122086927

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid (CID 114002321) is 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is COC(=O)CNC(=O)Nc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
The InChIKey is MDPYFQNTKVJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5/c1-19-9(15)5-13-11(18)14-6-2-3-7(10(16)17)8(12)4-6/h2-4H,5H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid?
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid has a molecular weight of 270.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 114002321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).