phenyl N-(2-methoxy-5-nitrophenyl)carbamate

C14H12N2O5 — CID 12941467

IUPACphenyl N-(2-methoxy-5-nitrophenyl)carbamate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H12N2O5/c1-20-13-8-7-10(16(18)19)9-12(13)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyJZCIYRGWAWUOJR-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.21
Rot. Bonds4

About phenyl N-(2-methoxy-5-nitrophenyl)carbamate

phenyl N-(2-methoxy-5-nitrophenyl)carbamate (PubChem CID 12941467) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is phenyl N-(2-methoxy-5-nitrophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-methoxy-5-nitrophenyl)carbamate
PubChem CID12941467
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Namephenyl N-(2-methoxy-5-nitrophenyl)carbamate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C14H12N2O5/c1-20-13-8-7-10(16(18)19)9-12(13)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)
InChIKeyJZCIYRGWAWUOJR-UHFFFAOYSA-N
XLogP3.21
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 39871460
3-(2-methoxy-5-nitrophenyl)-1,1-diphenylurea
CID 3430269
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
1-(2-iodophenyl)-3-(2-methoxy-5-nitrophenyl)urea
CID 108869061
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
1-(2-methoxy-5-nitrophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903362
(3R)-N-(2-methoxy-5-nitrophenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1307684
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841631

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-methoxy-5-nitrophenyl)carbamate?
The IUPAC name of phenyl N-(2-methoxy-5-nitrophenyl)carbamate (CID 12941467) is phenyl N-(2-methoxy-5-nitrophenyl)carbamate.
What is the SMILES notation for phenyl N-(2-methoxy-5-nitrophenyl)carbamate?
The canonical SMILES for phenyl N-(2-methoxy-5-nitrophenyl)carbamate is COc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-methoxy-5-nitrophenyl)carbamate?
The InChIKey is JZCIYRGWAWUOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-13-8-7-10(16(18)19)9-12(13)15-14(17)21-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17).
What are the key properties of phenyl N-(2-methoxy-5-nitrophenyl)carbamate?
phenyl N-(2-methoxy-5-nitrophenyl)carbamate has a molecular weight of 288.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-methoxy-5-nitrophenyl)carbamate is sourced from PubChem (CID 12941467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).