benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

C18H20FNO5 — CID 171855820

IUPACbenzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO5/c1-24-16-9-13(7-8-14(16)19)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyJKNAWQZSKQXNDA-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.15
Rot. Bonds7

About benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855820) has the molecular formula C18H20FNO5 and a molecular weight of 349.36 g/mol. Its IUPAC name is benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855820
Molecular FormulaC18H20FNO5
Molecular Weight349.36 g/mol
Exact Mass349.13
IUPAC Namebenzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F
InChIInChI=1S/C18H20FNO5/c1-24-16-9-13(7-8-14(16)19)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11H2,1H3,(H,20,23)
InChIKeyJKNAWQZSKQXNDA-UHFFFAOYSA-N
XLogP2.15
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-methoxybenzoic acid
CID 171856533
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857173
benzyl N-[3-(3-acetyl-4-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856245
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[2,3-dihydroxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]propyl]carbamate
CID 171856792
benzyl N-[3-(3-fluoro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855464
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-3-methylphenyl]propyl]carbamate
CID 171855863

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 171855820) is benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is COc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1F.
What is the InChIKey of benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is JKNAWQZSKQXNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5/c1-24-16-9-13(7-8-14(16)19)17(22)15(21)10-20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,17,21-22H,10-11H2,1H3,(H,20,23).
What are the key properties of benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 349.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).