[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate

C15H14FNO2 — CID 174582664

IUPAC[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
SMILESC[C@H](OC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c1-11(12-7-9-13(16)10-8-12)19-15(18)17-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyIKIQVXNTOPYDER-NSHDSACASA-N
MW259.28 g/mol
LogP4.14
Rot. Bonds3

About [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate

[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate (PubChem CID 174582664) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
PubChem CID174582664
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate
SMILESC[C@H](OC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c1-11(12-7-9-13(16)10-8-12)19-15(18)17-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/t11-/m0/s1
InChIKeyIKIQVXNTOPYDER-NSHDSACASA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate
CID 70517323
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-(4-fluorophenyl)ethyl acetate
CID 11286838
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
1,1,1-trifluoropropan-2-yl N-phenylcarbamate
CID 134123596
[(1R)-1-(4-chlorophenyl)ethyl] N-(4-methylphenyl)carbamate
CID 2485585
[(1S)-1-(4-fluorophenyl)ethyl] 2-hydroxybenzoate
CID 7890575
1-phenylethyl 2-(4-fluorophenyl)-2-oxoacetate
CID 122376657
[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-acetamidophenyl)acetate
CID 32915458
2-amino-2-(4-fluorophenyl)-N-phenylacetamide
CID 123261896
[(1S)-1-(phenylcarbamoyloxy)ethyl] 2-methylpropanoate
CID 173005984
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate (CID 174582664) is [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate is C[C@H](OC(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate?
The InChIKey is IKIQVXNTOPYDER-NSHDSACASA-N. The full InChI is InChI=1S/C15H14FNO2/c1-11(12-7-9-13(16)10-8-12)19-15(18)17-14-5-3-2-4-6-14/h2-11H,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate?
[(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate has a molecular weight of 259.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)ethyl] N-phenylcarbamate is sourced from PubChem (CID 174582664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).