propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate

C17H19FN2O3 — CID 25030471

IUPACpropan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O3/c1-11(2)23-17(21)20-16-8-7-14(9-15(16)19)22-10-12-3-5-13(18)6-4-12/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKeyNTQHJIJHALZHJT-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.94
Rot. Bonds5

About propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate

propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate (PubChem CID 25030471) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
PubChem CID25030471
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Namepropan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1N
InChIInChI=1S/C17H19FN2O3/c1-11(2)23-17(21)20-16-8-7-14(9-15(16)19)22-10-12-3-5-13(18)6-4-12/h3-9,11H,10,19H2,1-2H3,(H,20,21)
InChIKeyNTQHJIJHALZHJT-UHFFFAOYSA-N
XLogP3.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate?
The IUPAC name of propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate (CID 25030471) is propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1N.
What is the InChIKey of propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate?
The InChIKey is NTQHJIJHALZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(2)23-17(21)20-16-8-7-14(9-15(16)19)22-10-12-3-5-13(18)6-4-12/h3-9,11H,10,19H2,1-2H3,(H,20,21).
What are the key properties of propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate?
propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate has a molecular weight of 318.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate is sourced from PubChem (CID 25030471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).