benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate

C19H20F2N2O4 — CID 10667360

IUPACbenzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate
SMILESNC(=O)C(F)(F)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H20F2N2O4/c20-19(21,17(22)25)16(24)15(11-13-7-3-1-4-8-13)23-18(26)27-12-14-9-5-2-6-10-14/h1-10,15-16,24H,11-12H2,(H2,22,25)(H,23,26)
InChIKeyCQHOZRYMWZICSN-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.01
Rot. Bonds8

About benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate

benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate (PubChem CID 10667360) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate
PubChem CID10667360
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Namebenzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate
SMILESNC(=O)C(F)(F)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H20F2N2O4/c20-19(21,17(22)25)16(24)15(11-13-7-3-1-4-8-13)23-18(26)27-12-14-9-5-2-6-10-14/h1-10,15-16,24H,11-12H2,(H2,22,25)(H,23,26)
InChIKeyCQHOZRYMWZICSN-UHFFFAOYSA-N
XLogP2.01
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate (CID 10667360) is benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate is NC(=O)C(F)(F)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate?
The InChIKey is CQHOZRYMWZICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c20-19(21,17(22)25)16(24)15(11-13-7-3-1-4-8-13)23-18(26)27-12-14-9-5-2-6-10-14/h1-10,15-16,24H,11-12H2,(H2,22,25)(H,23,26).
What are the key properties of benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate?
benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate has a molecular weight of 378.38 g/mol, XLogP of 2.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-amino-4,4-difluoro-3-hydroxy-5-oxo-1-phenylpentan-2-yl)carbamate is sourced from PubChem (CID 10667360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).