(4-nitrophenyl)methyl N-phenylcarbamate

C14H12N2O4 — CID 4569720

IUPAC(4-nitrophenyl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c17-14(15-12-4-2-1-3-5-12)20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChIKeyGBPNLOVPSNSXQF-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.34
Rot. Bonds4

About (4-nitrophenyl)methyl N-phenylcarbamate

(4-nitrophenyl)methyl N-phenylcarbamate (PubChem CID 4569720) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is (4-nitrophenyl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl N-phenylcarbamate
PubChem CID4569720
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name(4-nitrophenyl)methyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O4/c17-14(15-12-4-2-1-3-5-12)20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17)
InChIKeyGBPNLOVPSNSXQF-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl N-phenylcarbamate?
The IUPAC name of (4-nitrophenyl)methyl N-phenylcarbamate (CID 4569720) is (4-nitrophenyl)methyl N-phenylcarbamate.
What is the SMILES notation for (4-nitrophenyl)methyl N-phenylcarbamate?
The canonical SMILES for (4-nitrophenyl)methyl N-phenylcarbamate is O=C(Nc1ccccc1)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl N-phenylcarbamate?
The InChIKey is GBPNLOVPSNSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c17-14(15-12-4-2-1-3-5-12)20-10-11-6-8-13(9-7-11)16(18)19/h1-9H,10H2,(H,15,17).
What are the key properties of (4-nitrophenyl)methyl N-phenylcarbamate?
(4-nitrophenyl)methyl N-phenylcarbamate has a molecular weight of 272.26 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl N-phenylcarbamate is sourced from PubChem (CID 4569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).