9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate

C22H18N2O3 — CID 90927729

IUPAC9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate
SMILESO=Cc1ccccc1NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O3/c25-13-15-7-1-6-12-21(15)23-24-22(26)27-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-13,20,23H,14H2,(H,24,26)
InChIKeyCWORRSZDSODZEN-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.36
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate

9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate (PubChem CID 90927729) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate
PubChem CID90927729
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate
SMILESO=Cc1ccccc1NNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18N2O3/c25-13-15-7-1-6-12-21(15)23-24-22(26)27-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-13,20,23H,14H2,(H,24,26)
InChIKeyCWORRSZDSODZEN-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoate
CID 6958000
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469390
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
Se-(2-formylphenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropaneselenoate
CID 140685282
9H-fluoren-9-ylmethyl N-[4-(2-formylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886250
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate (CID 90927729) is 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate is O=Cc1ccccc1NNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate?
The InChIKey is CWORRSZDSODZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-13-15-7-1-6-12-21(15)23-24-22(26)27-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-13,20,23H,14H2,(H,24,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate?
9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate has a molecular weight of 358.40 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-formylanilino)carbamate is sourced from PubChem (CID 90927729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).