phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate

C15H13FN2O4 — CID 66804164

IUPACphenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OF)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C15H13FN2O4/c1-10-7-8-11(17-15(20)22-16)9-13(10)18-14(19)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyCCGQBIJATMRQES-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.04
Rot. Bonds3

About phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate

phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate (PubChem CID 66804164) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
PubChem CID66804164
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Namephenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OF)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C15H13FN2O4/c1-10-7-8-11(17-15(20)22-16)9-13(10)18-14(19)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyCCGQBIJATMRQES-UHFFFAOYSA-N
XLogP4.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate?
The IUPAC name of phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate (CID 66804164) is phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate?
The canonical SMILES for phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate is Cc1ccc(NC(=O)OF)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate?
The InChIKey is CCGQBIJATMRQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-10-7-8-11(17-15(20)22-16)9-13(10)18-14(19)21-12-5-3-2-4-6-12/h2-9H,1H3,(H,17,20)(H,18,19).
What are the key properties of phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate?
phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate has a molecular weight of 304.28 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(fluorooxycarbonylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 66804164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).