methyl 4-(carbamoylamino)-3-fluorobenzoate

C9H9FN2O3 — CID 142338466

IUPACmethyl 4-(carbamoylamino)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC(N)=O)c(F)c1
InChIInChI=1S/C9H9FN2O3/c1-15-8(13)5-2-3-7(6(10)4-5)12-9(11)14/h2-4H,1H3,(H3,11,12,14)
InChIKeyRYUYPSHPSVEMDC-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.10
Rot. Bonds2

About methyl 4-(carbamoylamino)-3-fluorobenzoate

methyl 4-(carbamoylamino)-3-fluorobenzoate (PubChem CID 142338466) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is methyl 4-(carbamoylamino)-3-fluorobenzoate.

Molecular Properties

Compound Namemethyl 4-(carbamoylamino)-3-fluorobenzoate
PubChem CID142338466
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Namemethyl 4-(carbamoylamino)-3-fluorobenzoate
SMILESCOC(=O)c1ccc(NC(N)=O)c(F)c1
InChIInChI=1S/C9H9FN2O3/c1-15-8(13)5-2-3-7(6(10)4-5)12-9(11)14/h2-4H,1H3,(H3,11,12,14)
InChIKeyRYUYPSHPSVEMDC-UHFFFAOYSA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(cyclopropylamino)-3-fluorobenzoate
CID 139271670
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
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methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
methyl 4-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-fluorobenzoate
CID 169223575
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
(2-fluoro-4-methoxycarbonylphenyl)-trimethylazanium
CID 59847662
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-amino-4-(4-bromo-2-fluoroanilino)benzoate
CID 61305796
methyl 3-fluoro-4-[(1-methylpyrrol-3-yl)methylcarbamoylamino]benzoate
CID 71864271
chloromethane;4-[(2Z)-2-ethylidenepentoxy]tricyclo[4.1.0.01,3]heptane;methyl 4-(carbamoylamino)-3-fluorobenzoate
CID 142338577
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029

Frequently Asked Questions

What is the IUPAC name of methyl 4-(carbamoylamino)-3-fluorobenzoate?
The IUPAC name of methyl 4-(carbamoylamino)-3-fluorobenzoate (CID 142338466) is methyl 4-(carbamoylamino)-3-fluorobenzoate.
What is the SMILES notation for methyl 4-(carbamoylamino)-3-fluorobenzoate?
The canonical SMILES for methyl 4-(carbamoylamino)-3-fluorobenzoate is COC(=O)c1ccc(NC(N)=O)c(F)c1.
What is the InChIKey of methyl 4-(carbamoylamino)-3-fluorobenzoate?
The InChIKey is RYUYPSHPSVEMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-15-8(13)5-2-3-7(6(10)4-5)12-9(11)14/h2-4H,1H3,(H3,11,12,14).
What are the key properties of methyl 4-(carbamoylamino)-3-fluorobenzoate?
methyl 4-(carbamoylamino)-3-fluorobenzoate has a molecular weight of 212.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(carbamoylamino)-3-fluorobenzoate is sourced from PubChem (CID 142338466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).