phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate

C17H17F2NO2 — CID 19986468

IUPACphenyl N-[4-(2,4-difluorophenyl)butyl]carbamate
SMILESO=C(NCCCCc1ccc(F)cc1F)Oc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-14-10-9-13(16(19)12-14)6-4-5-11-20-17(21)22-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,20,21)
InChIKeyRELUQBOXJNIFOY-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.08
Rot. Bonds6

About phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate

phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate (PubChem CID 19986468) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(2,4-difluorophenyl)butyl]carbamate
PubChem CID19986468
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Namephenyl N-[4-(2,4-difluorophenyl)butyl]carbamate
SMILESO=C(NCCCCc1ccc(F)cc1F)Oc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-14-10-9-13(16(19)12-14)6-4-5-11-20-17(21)22-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,20,21)
InChIKeyRELUQBOXJNIFOY-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate?
The IUPAC name of phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate (CID 19986468) is phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate.
What is the SMILES notation for phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate?
The canonical SMILES for phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate is O=C(NCCCCc1ccc(F)cc1F)Oc1ccccc1.
What is the InChIKey of phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate?
The InChIKey is RELUQBOXJNIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-14-10-9-13(16(19)12-14)6-4-5-11-20-17(21)22-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,20,21).
What are the key properties of phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate?
phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate has a molecular weight of 305.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(2,4-difluorophenyl)butyl]carbamate is sourced from PubChem (CID 19986468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).