2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid

C12H15FN2O4 — CID 87890163

IUPAC2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
SMILESCON(C)C(=O)c1ccc(CCNC(=O)O)c(F)c1
InChIInChI=1S/C12H15FN2O4/c1-15(19-2)11(16)9-4-3-8(10(13)7-9)5-6-14-12(17)18/h3-4,7,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyXKWIYSLFSFBOEF-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid

2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid (PubChem CID 87890163) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
PubChem CID87890163
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
SMILESCON(C)C(=O)c1ccc(CCNC(=O)O)c(F)c1
InChIInChI=1S/C12H15FN2O4/c1-15(19-2)11(16)9-4-3-8(10(13)7-9)5-6-14-12(17)18/h3-4,7,14H,5-6H2,1-2H3,(H,17,18)
InChIKeyXKWIYSLFSFBOEF-UHFFFAOYSA-N
XLogP1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 87890157
tert-butyl-[2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethyl]carbamic acid
CID 87909355
tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate
CID 58767142
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
N-[2-(2,4-difluorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 110795613
2-[4-(dimethylcarbamoyl)-2-fluorophenyl]acetic acid
CID 70501184
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethylcarbamic acid
CID 154394877
4-(bromomethyl)-3-fluoro-N,N-dimethylbenzamide
CID 135152216
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid?
The IUPAC name of 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid (CID 87890163) is 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid?
The canonical SMILES for 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid is CON(C)C(=O)c1ccc(CCNC(=O)O)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid?
The InChIKey is XKWIYSLFSFBOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-15(19-2)11(16)9-4-3-8(10(13)7-9)5-6-14-12(17)18/h3-4,7,14H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid?
2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid has a molecular weight of 270.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid is sourced from PubChem (CID 87890163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).