ethyl N-[4-(4-nitrophenyl)phenyl]carbamate

C15H14N2O4 — CID 139700668

IUPACethyl N-[4-(4-nitrophenyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-15(18)16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyZTRKPSXIKKYCJB-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.83
Rot. Bonds4

About ethyl N-[4-(4-nitrophenyl)phenyl]carbamate

ethyl N-[4-(4-nitrophenyl)phenyl]carbamate (PubChem CID 139700668) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl N-[4-(4-nitrophenyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-nitrophenyl)phenyl]carbamate
PubChem CID139700668
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Nameethyl N-[4-(4-nitrophenyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-21-15(18)16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)
InChIKeyZTRKPSXIKKYCJB-UHFFFAOYSA-N
XLogP3.83
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.83
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

butyl N-(4-nitrophenyl)carbamate
CID 522878
2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl N-[5-methyl-6-(4-nitrophenyl)phenanthridin-5-ium-2-yl]carbamate
CID 166612172
bis(O-ethyl N-(4-nitrophenyl)carbamothioate);4-pyridin-4-ylpyridine
CID 139194362
diethyl 2-[4-(4-nitrophenyl)phenyl]propanedioate
CID 59464037
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
ethyl 3-(4-nitroanilino)prop-2-enoate
CID 4083946
ethyl N-[3-[[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]phenyl]carbamate
CID 45009508

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-nitrophenyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(4-nitrophenyl)phenyl]carbamate (CID 139700668) is ethyl N-[4-(4-nitrophenyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-nitrophenyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(4-nitrophenyl)phenyl]carbamate is CCOC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of ethyl N-[4-(4-nitrophenyl)phenyl]carbamate?
The InChIKey is ZTRKPSXIKKYCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-15(18)16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(19)20/h3-10H,2H2,1H3,(H,16,18).
What are the key properties of ethyl N-[4-(4-nitrophenyl)phenyl]carbamate?
ethyl N-[4-(4-nitrophenyl)phenyl]carbamate has a molecular weight of 286.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-nitrophenyl)phenyl]carbamate is sourced from PubChem (CID 139700668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).