benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate

C19H21FN2O3 — CID 1233993

IUPACbenzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate
SMILESCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)22(17(23)15-11-7-8-12-16(15)20)21-18(24)25-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyDYZCZHSTHZWVGV-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.91
Rot. Bonds3

About benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate

benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate (PubChem CID 1233993) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate
PubChem CID1233993
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namebenzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate
SMILESCC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3/c1-19(2,3)22(17(23)15-11-7-8-12-16(15)20)21-18(24)25-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyDYZCZHSTHZWVGV-UHFFFAOYSA-N
XLogP3.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate?
The IUPAC name of benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate (CID 1233993) is benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate.
What is the SMILES notation for benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate?
The canonical SMILES for benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate is CC(C)(C)N(NC(=O)OCc1ccccc1)C(=O)c1ccccc1F.
What is the InChIKey of benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate?
The InChIKey is DYZCZHSTHZWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-19(2,3)22(17(23)15-11-7-8-12-16(15)20)21-18(24)25-13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate?
benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate has a molecular weight of 344.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[tert-butyl-(2-fluorobenzoyl)amino]carbamate is sourced from PubChem (CID 1233993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).