9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate

C25H24ClNO4 — CID 170833713

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H24ClNO4/c1-15-10-16(12-17(26)11-15)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)
InChIKeyOHRXXWKPGSYMGC-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.58
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833713) has the molecular formula C25H24ClNO4 and a molecular weight of 437.92 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833713
Molecular FormulaC25H24ClNO4
Molecular Weight437.92 g/mol
Exact Mass437.14
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C25H24ClNO4/c1-15-10-16(12-17(26)11-15)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)
InChIKeyOHRXXWKPGSYMGC-UHFFFAOYSA-N
XLogP4.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834495
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834242
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
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-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate (CID 170833713) is 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate is Cc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is OHRXXWKPGSYMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO4/c1-15-10-16(12-17(26)11-15)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-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-chloro-5-methylphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 437.92 g/mol, XLogP of 4.58, 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-5-methylphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).