ethyl N-(4-fluoro-3-methoxyphenyl)carbamate

C10H12FNO3 — CID 114840894

IUPACethyl N-(4-fluoro-3-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C10H12FNO3/c1-3-15-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIMNZBQKRSATQAD-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.40
Rot. Bonds3

About ethyl N-(4-fluoro-3-methoxyphenyl)carbamate

ethyl N-(4-fluoro-3-methoxyphenyl)carbamate (PubChem CID 114840894) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is ethyl N-(4-fluoro-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-fluoro-3-methoxyphenyl)carbamate
PubChem CID114840894
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Nameethyl N-(4-fluoro-3-methoxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(F)c(OC)c1
InChIInChI=1S/C10H12FNO3/c1-3-15-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyIMNZBQKRSATQAD-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
diethyl 2-[(4-fluoro-3-methoxyanilino)methylidene]propanedioate;molecular hydrogen
CID 159284802
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-fluoro-3-methoxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-fluoro-3-methoxyphenyl)carbamate (CID 114840894) is ethyl N-(4-fluoro-3-methoxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-fluoro-3-methoxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-fluoro-3-methoxyphenyl)carbamate is CCOC(=O)Nc1ccc(F)c(OC)c1.
What is the InChIKey of ethyl N-(4-fluoro-3-methoxyphenyl)carbamate?
The InChIKey is IMNZBQKRSATQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-3-15-10(13)12-7-4-5-8(11)9(6-7)14-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(4-fluoro-3-methoxyphenyl)carbamate?
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate has a molecular weight of 213.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-fluoro-3-methoxyphenyl)carbamate is sourced from PubChem (CID 114840894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).