(4-fluorophenyl)methyl N-benzylcarbamate

C15H14FNO2 — CID 11334433

IUPAC(4-fluorophenyl)methyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-14-8-6-13(7-9-14)11-19-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVSEPIIYYDDBUID-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.25
Rot. Bonds4

About (4-fluorophenyl)methyl N-benzylcarbamate

(4-fluorophenyl)methyl N-benzylcarbamate (PubChem CID 11334433) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-benzylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-benzylcarbamate
PubChem CID11334433
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(4-fluorophenyl)methyl N-benzylcarbamate
SMILESO=C(NCc1ccccc1)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO2/c16-14-8-6-13(7-9-14)11-19-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVSEPIIYYDDBUID-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 101435256
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
benzyl N-[[5-amino-4-[(4-fluorophenyl)methylcarbamoyl]-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
CID 142236115
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzyl N-[(2S,3S)-1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 7611849
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
(4-fluorophenyl)methyl N-aminocarbamate
CID 131187793

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-benzylcarbamate?
The IUPAC name of (4-fluorophenyl)methyl N-benzylcarbamate (CID 11334433) is (4-fluorophenyl)methyl N-benzylcarbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-benzylcarbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-benzylcarbamate is O=C(NCc1ccccc1)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-benzylcarbamate?
The InChIKey is VSEPIIYYDDBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-14-8-6-13(7-9-14)11-19-15(18)17-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of (4-fluorophenyl)methyl N-benzylcarbamate?
(4-fluorophenyl)methyl N-benzylcarbamate has a molecular weight of 259.28 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-benzylcarbamate is sourced from PubChem (CID 11334433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).