benzyl N-(5-fluoro-2-formylphenyl)carbamate

C15H12FNO3 — CID 123244128

IUPACbenzyl N-(5-fluoro-2-formylphenyl)carbamate
SMILESO=Cc1ccc(F)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-7-6-12(9-18)14(8-13)17-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyVDUGWWCYLSFGIR-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.39
Rot. Bonds4

About benzyl N-(5-fluoro-2-formylphenyl)carbamate

benzyl N-(5-fluoro-2-formylphenyl)carbamate (PubChem CID 123244128) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is benzyl N-(5-fluoro-2-formylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-fluoro-2-formylphenyl)carbamate
PubChem CID123244128
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namebenzyl N-(5-fluoro-2-formylphenyl)carbamate
SMILESO=Cc1ccc(F)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-7-6-12(9-18)14(8-13)17-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyVDUGWWCYLSFGIR-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
ditert-butyl 2-[5-fluoro-2-(phenylmethoxycarbonylamino)phenyl]propanedioate
CID 101123837
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
4-fluoro-3-(phenylmethoxycarbonylamino)benzoic acid
CID 60827338
benzyl N-(5-bromo-2-fluorophenyl)carbamate
CID 58686891
pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
CID 134113794
CID 89044930
CID 89044930
benzyl N-(2-formyl-6-methylphenyl)carbamate
CID 123554285

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-fluoro-2-formylphenyl)carbamate?
The IUPAC name of benzyl N-(5-fluoro-2-formylphenyl)carbamate (CID 123244128) is benzyl N-(5-fluoro-2-formylphenyl)carbamate.
What is the SMILES notation for benzyl N-(5-fluoro-2-formylphenyl)carbamate?
The canonical SMILES for benzyl N-(5-fluoro-2-formylphenyl)carbamate is O=Cc1ccc(F)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-fluoro-2-formylphenyl)carbamate?
The InChIKey is VDUGWWCYLSFGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-7-6-12(9-18)14(8-13)17-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19).
What are the key properties of benzyl N-(5-fluoro-2-formylphenyl)carbamate?
benzyl N-(5-fluoro-2-formylphenyl)carbamate has a molecular weight of 273.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-fluoro-2-formylphenyl)carbamate is sourced from PubChem (CID 123244128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).