benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate

C17H18FNO3 — CID 85273603

IUPACbenzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
SMILESO=C(NC(CO)Cc1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C17H18FNO3/c18-15-8-6-13(7-9-15)10-16(11-20)19-17(21)22-12-14-4-2-1-3-5-14/h1-9,16,20H,10-12H2,(H,19,21)
InChIKeyTVPKQRKVQQXYMA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.66
Rot. Bonds6

About benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate

benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate (PubChem CID 85273603) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
PubChem CID85273603
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Namebenzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
SMILESO=C(NC(CO)Cc1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C17H18FNO3/c18-15-8-6-13(7-9-15)10-16(11-20)19-17(21)22-12-14-4-2-1-3-5-14/h1-9,16,20H,10-12H2,(H,19,21)
InChIKeyTVPKQRKVQQXYMA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
benzyl N-[3-(4-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 141026809
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
benzyl N-[1-diphenoxyphosphoryl-2-(4-fluorophenyl)ethyl]carbamate
CID 155541554
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335
[4-[(2S)-3-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propyl]phenyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 66747953
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
benzyl N-[1-phenyl-3-(trifluoromethylsulfanyl)propan-2-yl]carbamate
CID 75529808
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
benzyl N-[(2S)-1-chlorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 11337603

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate (CID 85273603) is benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate is O=C(NC(CO)Cc1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate?
The InChIKey is TVPKQRKVQQXYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-15-8-6-13(7-9-15)10-16(11-20)19-17(21)22-12-14-4-2-1-3-5-14/h1-9,16,20H,10-12H2,(H,19,21).
What are the key properties of benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate?
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate has a molecular weight of 303.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 85273603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).