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

C24H23ClN2O5 — CID 170834280

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESNc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C24H23ClN2O5/c25-13-9-18(22(29)20(26)10-13)23(30)21(28)11-27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,21,23,28-30H,11-12,26H2,(H,27,31)
InChIKeyAZZNYHGURXCMJQ-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.56
Rot. Bonds6

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

9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834280) has the molecular formula C24H23ClN2O5 and a molecular weight of 454.91 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170834280
Molecular FormulaC24H23ClN2O5
Molecular Weight454.91 g/mol
Exact Mass454.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESNc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C24H23ClN2O5/c25-13-9-18(22(29)20(26)10-13)23(30)21(28)11-27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,21,23,28-30H,11-12,26H2,(H,27,31)
InChIKeyAZZNYHGURXCMJQ-UHFFFAOYSA-N
XLogP3.56
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834242
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833989
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170835406
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833747
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833889
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833767
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886891
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833785
9H-fluoren-9-ylmethyl N-[4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886334

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 170834280) is 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is Nc1cc(Cl)cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is AZZNYHGURXCMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5/c25-13-9-18(22(29)20(26)10-13)23(30)21(28)11-27-24(31)32-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,19,21,23,28-30H,11-12,26H2,(H,27,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 454.91 g/mol, XLogP of 3.56, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).