9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate

C22H20N2O4 — CID 143406639

IUPAC9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate
SMILESO=C(NC1=CC=C(C(=O)NO)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O4/c25-21(24-27)14-9-11-15(12-10-14)23-22(26)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-9,11,20,27H,10,12-13H2,(H,23,26)(H,24,25)
InChIKeyGHMJGPAXPYUHQL-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.63
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate

9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate (PubChem CID 143406639) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate
PubChem CID143406639
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate
SMILESO=C(NC1=CC=C(C(=O)NO)CC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O4/c25-21(24-27)14-9-11-15(12-10-14)23-22(26)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-9,11,20,27H,10,12-13H2,(H,23,26)(H,24,25)
InChIKeyGHMJGPAXPYUHQL-UHFFFAOYSA-N
XLogP3.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
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9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate (CID 143406639) is 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate is O=C(NC1=CC=C(C(=O)NO)CC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate?
The InChIKey is GHMJGPAXPYUHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(24-27)14-9-11-15(12-10-14)23-22(26)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-9,11,20,27H,10,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate has a molecular weight of 376.41 g/mol, XLogP of 3.63, 4 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-(hydroxycarbamoyl)cyclohexa-1,3-dien-1-yl]carbamate is sourced from PubChem (CID 143406639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).