9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate

C23H21FN2O4 — CID 170833655

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccncc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21FN2O4/c24-20-11-25-10-9-18(20)22(28)21(27)12-26-23(29)30-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19,21-22,27-28H,12-13H2,(H,26,29)
InChIKeyBSKDWCRZDVDADR-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.15
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833655) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833655
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ccncc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21FN2O4/c24-20-11-25-10-9-18(20)22(28)21(27)12-26-23(29)30-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19,21-22,27-28H,12-13H2,(H,26,29)
InChIKeyBSKDWCRZDVDADR-UHFFFAOYSA-N
XLogP3.15
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833747
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834593
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-[3-[2-(2-aminoethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170834231
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170833655) is 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ccncc1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is BSKDWCRZDVDADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-20-11-25-10-9-18(20)22(28)21(27)12-26-23(29)30-13-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19,21-22,27-28H,12-13H2,(H,26,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 408.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).