2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate

C10H12FNO4 — CID 79349865

IUPAC2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
SMILESCOc1cc(F)ccc1NC(=O)OCCO
InChIInChI=1S/C10H12FNO4/c1-15-9-6-7(11)2-3-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyBBQPLWQVVPGXHT-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.38
Rot. Bonds4

About 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate

2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate (PubChem CID 79349865) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
PubChem CID79349865
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
SMILESCOc1cc(F)ccc1NC(=O)OCCO
InChIInChI=1S/C10H12FNO4/c1-15-9-6-7(11)2-3-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyBBQPLWQVVPGXHT-UHFFFAOYSA-N
XLogP1.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
2-hydroxyethyl N-(5-bromo-2-methoxyphenyl)carbamate
CID 79349776
ethyl 2-(4-fluoro-2-methoxyanilino)-2-oxoacetate
CID 54967859
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
2-hydroxyethyl N-(2-fluoro-5-methylphenyl)carbamate
CID 79346664
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
2-amino-4-fluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63110567
propyl N-[4-[(4-fluorophenyl)methyl-methylamino]-2-methoxyphenyl]carbamate
CID 10247026
1-(4-fluoro-2-methoxyphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473635
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate (CID 79349865) is 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate is COc1cc(F)ccc1NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate?
The InChIKey is BBQPLWQVVPGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-15-9-6-7(11)2-3-8(9)12-10(14)16-5-4-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate?
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate has a molecular weight of 229.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 79349865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).