benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate

C19H22FNO5 — CID 171888321

IUPACbenzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCOc1cccc(F)c1C(O)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22FNO5/c1-25-16-9-5-8-14(20)17(16)18(23)15(22)10-11-21-19(24)26-12-13-6-3-2-4-7-13/h2-9,15,18,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyPUCKIMHTRHIEKU-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.55
Rot. Bonds8

About benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate

benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171888321) has the molecular formula C19H22FNO5 and a molecular weight of 363.39 g/mol. Its IUPAC name is benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171888321
Molecular FormulaC19H22FNO5
Molecular Weight363.39 g/mol
Exact Mass363.15
IUPAC Namebenzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
SMILESCOc1cccc(F)c1C(O)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22FNO5/c1-25-16-9-5-8-14(20)17(16)18(23)15(22)10-11-21-19(24)26-12-13-6-3-2-4-7-13/h2-9,15,18,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyPUCKIMHTRHIEKU-UHFFFAOYSA-N
XLogP2.55
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-6-fluorobenzoic acid
CID 171888701
benzyl N-[4-(3-fluoro-2-nitrophenyl)-3,4-dihydroxybutyl]carbamate
CID 171888871
benzyl N-[3,4-dihydroxy-4-[5-(hydroxymethyl)-2-methoxyphenyl]butyl]carbamate
CID 171888716
2-[5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-2-methoxyphenyl]acetic acid
CID 171889311
benzyl N-[4-(3,5-difluoro-4-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888386
benzyl N-[4-(4-cyano-3-methoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888916
benzyl N-[4-(3,4-difluoro-2-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171888276
benzyl N-[4-(4-chloro-3,5-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171888251
benzyl N-[4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888136
benzyl N-[4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171887865
benzyl N-[3,4-dihydroxy-4-(2,3,5-trifluorophenyl)butyl]carbamate
CID 171888246
benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855820

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate (CID 171888321) is benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate is COc1cccc(F)c1C(O)C(O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is PUCKIMHTRHIEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5/c1-25-16-9-5-8-14(20)17(16)18(23)15(22)10-11-21-19(24)26-12-13-6-3-2-4-7-13/h2-9,15,18,22-23H,10-12H2,1H3,(H,21,24).
What are the key properties of benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate?
benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 363.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171888321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).