9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate

C24H21ClFNO4 — CID 170833747

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(Cl)c1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClFNO4/c25-20-11-5-10-18(22(20)26)23(29)21(28)12-27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,21,23,28-29H,12-13H2,(H,27,30)
InChIKeyNICHGGAOSXMCPS-UHFFFAOYSA-N
MW441.89 g/mol
LogP4.41
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833747) has the molecular formula C24H21ClFNO4 and a molecular weight of 441.89 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833747
Molecular FormulaC24H21ClFNO4
Molecular Weight441.89 g/mol
Exact Mass441.11
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(Cl)c1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21ClFNO4/c25-20-11-5-10-18(22(20)26)23(29)21(28)12-27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,21,23,28-29H,12-13H2,(H,27,30)
InChIKeyNICHGGAOSXMCPS-UHFFFAOYSA-N
XLogP4.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834499
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833889
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834242
9H-fluoren-9-ylmethyl N-[3-(2-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833835
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834280

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate (CID 170833747) is 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cccc(Cl)c1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is NICHGGAOSXMCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFNO4/c25-20-11-5-10-18(22(20)26)23(29)21(28)12-27-24(30)31-13-19-16-8-3-1-6-14(16)15-7-2-4-9-17(15)19/h1-11,19,21,23,28-29H,12-13H2,(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 441.89 g/mol, XLogP of 4.41, 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-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).