9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate

C21H16N2O4 — CID 14482307

IUPAC9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O4/c24-21(22-14-9-11-15(12-10-14)23(25)26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,22,24)
InChIKeyCUZAHPCOLQTEBR-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.96
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate

9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate (PubChem CID 14482307) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
PubChem CID14482307
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H16N2O4/c24-21(22-14-9-11-15(12-10-14)23(25)26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,22,24)
InChIKeyCUZAHPCOLQTEBR-UHFFFAOYSA-N
XLogP4.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]carbamate
CID 134838961
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
(4-nitrophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 175881228
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
CID 2756116
(4-nitrophenyl) 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 4181618
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
CID 148733041
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid
CID 155906158
(9H-fluoren-9-ylmethoxycarbonylamino)methyl-[(4-nitrophenyl)methoxy]phosphinic acid
CID 15339931
3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-2-enyl (4-nitrophenyl) carbonate
CID 68569047
(4-nitrophenyl) N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]carbamate
CID 10994199

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate (CID 14482307) is 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate?
The InChIKey is CUZAHPCOLQTEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-21(22-14-9-11-15(12-10-14)23(25)26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20H,13H2,(H,22,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate?
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate has a molecular weight of 360.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 14482307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).