methyl N-(4-ethoxy-3-fluorophenyl)carbamate

C10H12FNO3 — CID 110777389

IUPACmethyl N-(4-ethoxy-3-fluorophenyl)carbamate
SMILESCCOc1ccc(NC(=O)OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-3-15-9-5-4-7(6-8(9)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyQDQUCCIEJBHKSB-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.40
Rot. Bonds3

About methyl N-(4-ethoxy-3-fluorophenyl)carbamate

methyl N-(4-ethoxy-3-fluorophenyl)carbamate (PubChem CID 110777389) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl N-(4-ethoxy-3-fluorophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-ethoxy-3-fluorophenyl)carbamate
PubChem CID110777389
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl N-(4-ethoxy-3-fluorophenyl)carbamate
SMILESCCOc1ccc(NC(=O)OC)cc1F
InChIInChI=1S/C10H12FNO3/c1-3-15-9-5-4-7(6-8(9)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyQDQUCCIEJBHKSB-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

3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
2-bromo-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 107905692
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
methyl 3-(4-ethoxy-3-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104644996
(2S)-2-amino-N-(4-ethoxy-3-fluorophenyl)-3-methylbutanamide
CID 113264021
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N-(4-ethoxy-3-fluorophenyl)-2-hydroxybenzamide
CID 47314298
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738458
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
N-(4-ethoxy-3-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 115678718
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-ethoxy-3-fluorophenyl)carbamate?
The IUPAC name of methyl N-(4-ethoxy-3-fluorophenyl)carbamate (CID 110777389) is methyl N-(4-ethoxy-3-fluorophenyl)carbamate.
What is the SMILES notation for methyl N-(4-ethoxy-3-fluorophenyl)carbamate?
The canonical SMILES for methyl N-(4-ethoxy-3-fluorophenyl)carbamate is CCOc1ccc(NC(=O)OC)cc1F.
What is the InChIKey of methyl N-(4-ethoxy-3-fluorophenyl)carbamate?
The InChIKey is QDQUCCIEJBHKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-3-15-9-5-4-7(6-8(9)11)12-10(13)14-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of methyl N-(4-ethoxy-3-fluorophenyl)carbamate?
methyl N-(4-ethoxy-3-fluorophenyl)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 methyl N-(4-ethoxy-3-fluorophenyl)carbamate is sourced from PubChem (CID 110777389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).