9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate

C25H23ClFNO4 — CID 171886199

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23ClFNO4/c26-20-10-5-11-21(27)23(20)24(30)22(29)12-13-28-25(31)32-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,19,22,24,29-30H,12-14H2,(H,28,31)
InChIKeyNQBLNSYJGHEMQR-UHFFFAOYSA-N
MW455.91 g/mol
LogP4.80
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate

9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886199) has the molecular formula C25H23ClFNO4 and a molecular weight of 455.91 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886199
Molecular FormulaC25H23ClFNO4
Molecular Weight455.91 g/mol
Exact Mass455.13
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H23ClFNO4/c26-20-10-5-11-21(27)23(20)24(30)22(29)12-13-28-25(31)32-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,19,22,24,29-30H,12-14H2,(H,28,31)
InChIKeyNQBLNSYJGHEMQR-UHFFFAOYSA-N
XLogP4.80
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.91
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]benzoic acid
CID 171886895
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886536
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[4-[2,6-bis(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171887630
9H-fluoren-9-ylmethyl N-[4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886457
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833890
9H-fluoren-9-ylmethyl N-[4-(3-chloro-2,4-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886453
9H-fluoren-9-ylmethyl N-[4-(2,6-dibromo-4-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887750
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2,4,5-trifluorophenyl)butyl]carbamate
CID 171886450
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(3,4,5-trichlorophenyl)butyl]carbamate
CID 171886456
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833889

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate (CID 171886199) is 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate is O=C(NCCC(O)C(O)c1c(F)cccc1Cl)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is NQBLNSYJGHEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFNO4/c26-20-10-5-11-21(27)23(20)24(30)22(29)12-13-28-25(31)32-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,19,22,24,29-30H,12-14H2,(H,28,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 455.91 g/mol, XLogP of 4.80, 7 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-[4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).