2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate

C19H22FNO2 — CID 70465791

IUPAC2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate
SMILESCCCNC(=O)OCCc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-2-12-21-19(22)23-13-11-15-3-5-16(6-4-15)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyLTRXOZVGXWHYIL-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.10
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate

2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate (PubChem CID 70465791) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate
PubChem CID70465791
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate
SMILESCCCNC(=O)OCCc1ccc(Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-2-12-21-19(22)23-13-11-15-3-5-16(6-4-15)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22)
InChIKeyLTRXOZVGXWHYIL-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate (CID 70465791) is 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate is CCCNC(=O)OCCc1ccc(Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate?
The InChIKey is LTRXOZVGXWHYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-12-21-19(22)23-13-11-15-3-5-16(6-4-15)14-17-7-9-18(20)10-8-17/h3-10H,2,11-14H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate?
2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate has a molecular weight of 315.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]phenyl]ethyl N-propylcarbamate is sourced from PubChem (CID 70465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).