phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate

C16H16FNO3 — CID 164584343

IUPACphenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
SMILESCCOc1cc(NC(=O)Oc2ccccc2)c(F)cc1C
InChIInChI=1S/C16H16FNO3/c1-3-20-15-10-14(13(17)9-11(15)2)18-16(19)21-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyRPCLBZXVQBWLKH-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.14
Rot. Bonds4

About phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate

phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate (PubChem CID 164584343) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
PubChem CID164584343
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namephenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate
SMILESCCOc1cc(NC(=O)Oc2ccccc2)c(F)cc1C
InChIInChI=1S/C16H16FNO3/c1-3-20-15-10-14(13(17)9-11(15)2)18-16(19)21-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyRPCLBZXVQBWLKH-UHFFFAOYSA-N
XLogP4.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-(2-fluorophenyl)carbamate
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phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate?
The IUPAC name of phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate (CID 164584343) is phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate.
What is the SMILES notation for phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate?
The canonical SMILES for phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate is CCOc1cc(NC(=O)Oc2ccccc2)c(F)cc1C.
What is the InChIKey of phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate?
The InChIKey is RPCLBZXVQBWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-3-20-15-10-14(13(17)9-11(15)2)18-16(19)21-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate?
phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate has a molecular weight of 289.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-ethoxy-2-fluoro-4-methylphenyl)carbamate is sourced from PubChem (CID 164584343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).