benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate

C21H18FNO3 — CID 22078398

IUPACbenzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate
SMILESO=C(Nc1c(F)cccc1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H18FNO3/c22-18-12-7-13-19(25-14-16-8-3-1-4-9-16)20(18)23-21(24)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,24)
InChIKeyBOZOSVYNBPMCNZ-UHFFFAOYSA-N
MW351.38 g/mol
LogP5.15
Rot. Bonds6

About benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate

benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate (PubChem CID 22078398) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate
PubChem CID22078398
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Namebenzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate
SMILESO=C(Nc1c(F)cccc1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H18FNO3/c22-18-12-7-13-19(25-14-16-8-3-1-4-9-16)20(18)23-21(24)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,24)
InChIKeyBOZOSVYNBPMCNZ-UHFFFAOYSA-N
XLogP5.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
benzyl N-[2,6-difluoro-4-[(E)-3-hydroxyprop-1-enyl]phenyl]carbamate
CID 69422302
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl 2,3-difluorobenzoate
CID 62867579
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate?
The IUPAC name of benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate (CID 22078398) is benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate?
The canonical SMILES for benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate is O=C(Nc1c(F)cccc1OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate?
The InChIKey is BOZOSVYNBPMCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-18-12-7-13-19(25-14-16-8-3-1-4-9-16)20(18)23-21(24)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,24).
What are the key properties of benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate?
benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate has a molecular weight of 351.38 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate is sourced from PubChem (CID 22078398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).