[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate

C15H12N2O5 — CID 3365473

IUPAC[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c1-10(18)22-14-8-3-2-7-13(14)15(19)16-11-5-4-6-12(9-11)17(20)21/h2-9H,1H3,(H,16,19)
InChIKeyMIWCHDXJBPXZIE-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.77
Rot. Bonds4

About [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate

[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate (PubChem CID 3365473) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
PubChem CID3365473
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H12N2O5/c1-10(18)22-14-8-3-2-7-13(14)15(19)16-11-5-4-6-12(9-11)17(20)21/h2-9H,1H3,(H,16,19)
InChIKeyMIWCHDXJBPXZIE-UHFFFAOYSA-N
XLogP2.77
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.77
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-[[3-(nitrooxymethyl)phenyl]carbamoyl]phenyl] acetate
CID 11738993
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413
[2-[chloro-(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 87425010
2,5-dimethyl-N-(3-nitrophenyl)thiophene-3-carboxamide
CID 16960210
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
5-[(2-acetyloxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 123212588
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
2-(2-cyanophenyl)-N-(3-nitrophenyl)benzamide
CID 32989896

Frequently Asked Questions

What is the IUPAC name of [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate (CID 3365473) is [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate?
The InChIKey is MIWCHDXJBPXZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5/c1-10(18)22-14-8-3-2-7-13(14)15(19)16-11-5-4-6-12(9-11)17(20)21/h2-9H,1H3,(H,16,19).
What are the key properties of [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate?
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate has a molecular weight of 300.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-nitrophenyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 3365473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).