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

C26H24ClNO5 — CID 170834495

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(=O)c1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl
InChIInChI=1S/C26H24ClNO5/c1-15(29)21-12-16(10-11-23(21)27)25(31)24(30)13-28-26(32)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,30-31H,13-14H2,1H3,(H,28,32)
InChIKeyWYKCINRJSLZSBQ-UHFFFAOYSA-N
MW465.93 g/mol
LogP4.48
Rot. Bonds7

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

9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834495) has the molecular formula C26H24ClNO5 and a molecular weight of 465.93 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170834495
Molecular FormulaC26H24ClNO5
Molecular Weight465.93 g/mol
Exact Mass465.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
SMILESCC(=O)c1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl
InChIInChI=1S/C26H24ClNO5/c1-15(29)21-12-16(10-11-23(21)27)25(31)24(30)13-28-26(32)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,30-31H,13-14H2,1H3,(H,28,32)
InChIKeyWYKCINRJSLZSBQ-UHFFFAOYSA-N
XLogP4.48
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
9H-fluoren-9-ylmethyl N-[3-(4-acetylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834099
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833713
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-cyanophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834142
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-iodophenyl)propyl]carbamate
CID 170835442

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate (CID 170834495) is 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate is CC(=O)c1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)ccc1Cl.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is WYKCINRJSLZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO5/c1-15(29)21-12-16(10-11-23(21)27)25(31)24(30)13-28-26(32)33-14-22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-12,22,24-25,30-31H,13-14H2,1H3,(H,28,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 465.93 g/mol, XLogP of 4.48, 7 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-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).