benzyl N-(2-fluorobenzoyl)carbamate

C15H12FNO3 — CID 4136699

IUPACbenzyl N-(2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-9-5-4-8-12(13)14(18)17-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyLXQPAOLZDGMUBJ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.89
Rot. Bonds3

About benzyl N-(2-fluorobenzoyl)carbamate

benzyl N-(2-fluorobenzoyl)carbamate (PubChem CID 4136699) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is benzyl N-(2-fluorobenzoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-fluorobenzoyl)carbamate
PubChem CID4136699
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Namebenzyl N-(2-fluorobenzoyl)carbamate
SMILESO=C(NC(=O)c1ccccc1F)OCc1ccccc1
InChIInChI=1S/C15H12FNO3/c16-13-9-5-4-8-12(13)14(18)17-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19)
InChIKeyLXQPAOLZDGMUBJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzamidoethyl Benzoate
CID 5131781
2,4-dichlorobenzyl N-(2-fluorobenzoyl)carbamate
CID 2798261
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
Benzyl 2-benzoyl-2-tert-butylhydrazinecarboxylate
CID 682784
2-[(4-Fluorobenzoyl)amino]ethyl 4-fluorobenzoate
CID 22310468
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
N-benzyloxy-4-fluoro-benzamide
CID 9227227
N-[Methoxy(phenyl)methyl]benzamide
CID 569592
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
4-Fluorophenyl benzoylcarbamate
CID 790834
Benzyl 2-[(2-fluorobenzoyl)amino]acetate
CID 2364838
Methyl 4-[[(3-fluorobenzoyl)amino]methyl]benzoate
CID 2417144

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-fluorobenzoyl)carbamate?
The IUPAC name of benzyl N-(2-fluorobenzoyl)carbamate (CID 4136699) is benzyl N-(2-fluorobenzoyl)carbamate.
What is the SMILES notation for benzyl N-(2-fluorobenzoyl)carbamate?
The canonical SMILES for benzyl N-(2-fluorobenzoyl)carbamate is O=C(NC(=O)c1ccccc1F)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-fluorobenzoyl)carbamate?
The InChIKey is LXQPAOLZDGMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-9-5-4-8-12(13)14(18)17-15(19)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of benzyl N-(2-fluorobenzoyl)carbamate?
benzyl N-(2-fluorobenzoyl)carbamate has a molecular weight of 273.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-fluorobenzoyl)carbamate is sourced from PubChem (CID 4136699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).