1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate

C19H23FN2O3 — CID 6735060

IUPAC1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(F)cc1)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23FN2O3/c20-16-3-1-15(2-4-16)17(23)21-22-18(24)25-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24)
InChIKeyYEZQAISDELJKJS-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.41
Rot. Bonds3

About 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate

1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate (PubChem CID 6735060) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate.

Molecular Properties

Compound Name1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate
PubChem CID6735060
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate
SMILESO=C(NNC(=O)c1ccc(F)cc1)OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H23FN2O3/c20-16-3-1-15(2-4-16)17(23)21-22-18(24)25-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24)
InChIKeyYEZQAISDELJKJS-UHFFFAOYSA-N
XLogP3.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
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 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate?
The IUPAC name of 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate (CID 6735060) is 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate.
What is the SMILES notation for 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate?
The canonical SMILES for 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate is O=C(NNC(=O)c1ccc(F)cc1)OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate?
The InChIKey is YEZQAISDELJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-16-3-1-15(2-4-16)17(23)21-22-18(24)25-11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,23)(H,22,24).
What are the key properties of 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate?
1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate has a molecular weight of 346.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethyl N-[(4-fluorobenzoyl)amino]carbamate is sourced from PubChem (CID 6735060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).