phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate

C16H14FNO2 — CID 169322843

IUPACphenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2(F)CC2)cc1)Oc1ccccc1
InChIInChI=1S/C16H14FNO2/c17-16(10-11-16)12-6-8-13(9-7-12)18-15(19)20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyGONBODUKFCOVIG-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.26
Rot. Bonds3

About phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate

phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate (PubChem CID 169322843) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
PubChem CID169322843
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Namephenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2(F)CC2)cc1)Oc1ccccc1
InChIInChI=1S/C16H14FNO2/c17-16(10-11-16)12-6-8-13(9-7-12)18-15(19)20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)
InChIKeyGONBODUKFCOVIG-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[4-[4-[4-(phenoxycarbonylamino)phenyl]piperazin-1-yl]phenyl] acetate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate?
The IUPAC name of phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate (CID 169322843) is phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate?
The canonical SMILES for phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate is O=C(Nc1ccc(C2(F)CC2)cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate?
The InChIKey is GONBODUKFCOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-16(10-11-16)12-6-8-13(9-7-12)18-15(19)20-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19).
What are the key properties of phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate?
phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate has a molecular weight of 271.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate is sourced from PubChem (CID 169322843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).