benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate

C17H18FNO3 — CID 59985516

IUPACbenzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
SMILESO=C(N[C@@H](CCO)c1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C17H18FNO3/c18-15-8-4-7-14(11-15)16(9-10-20)19-17(21)22-12-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2,(H,19,21)/t16-/m0/s1
InChIKeyBESYKMFEDRYIJQ-INIZCTEOSA-N
MW303.33 g/mol
LogP3.18
Rot. Bonds6

About benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate

benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate (PubChem CID 59985516) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
PubChem CID59985516
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namebenzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
SMILESO=C(N[C@@H](CCO)c1cccc(F)c1)OCc1ccccc1
InChIInChI=1S/C17H18FNO3/c18-15-8-4-7-14(11-15)16(9-10-20)19-17(21)22-12-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2,(H,19,21)/t16-/m0/s1
InChIKeyBESYKMFEDRYIJQ-INIZCTEOSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(3-fluorophenyl)-3-hydroxypropyl]carbamate
CID 20758955
benzyl N-[1-(3-fluorophenyl)-3-oxopropyl]carbamate
CID 20758956
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
3-(3-aminophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 68816230
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
(3R)-3-(phenylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 93481059
benzyl N-[1-(3-chlorophenyl)but-3-enyl]carbamate
CID 11438457
hydroxy-oxo-[3-phenyl-3-(phenylmethoxycarbonylamino)propoxy]phosphanium
CID 172826308
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
benzyl N-[(1S)-1-(3-hydroxyphenyl)but-3-enyl]carbamate
CID 175272837

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate (CID 59985516) is benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate is O=C(N[C@@H](CCO)c1cccc(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate?
The InChIKey is BESYKMFEDRYIJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-15-8-4-7-14(11-15)16(9-10-20)19-17(21)22-12-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2,(H,19,21)/t16-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate?
benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate has a molecular weight of 303.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(3-fluorophenyl)-3-hydroxypropyl]carbamate is sourced from PubChem (CID 59985516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).