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

C25H24FNO4 — CID 170833702

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(F)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24FNO4/c1-15-12-16(26)10-11-17(15)24(29)23(28)13-27-25(30)31-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-12,22-24,28-29H,13-14H2,1H3,(H,27,30)
InChIKeyGMYOZXOXHLMKAP-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.07
Rot. Bonds6

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

9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833702) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833702
Molecular FormulaC25H24FNO4
Molecular Weight421.47 g/mol
Exact Mass421.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(F)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24FNO4/c1-15-12-16(26)10-11-17(15)24(29)23(28)13-27-25(30)31-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-12,22-24,28-29H,13-14H2,1H3,(H,27,30)
InChIKeyGMYOZXOXHLMKAP-UHFFFAOYSA-N
XLogP4.07
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2-acetyl-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834501
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834230
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729
9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate
CID 170834756
9H-fluoren-9-ylmethyl N-[3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834210
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate (CID 170833702) is 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate is Cc1cc(F)ccc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is GMYOZXOXHLMKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-15-12-16(26)10-11-17(15)24(29)23(28)13-27-25(30)31-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-12,22-24,28-29H,13-14H2,1H3,(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 421.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-fluoro-2-methylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).