N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide

C14H12N2O4 — CID 91170030

IUPACN-(4-methylphenyl)-N-(4-nitrophenoxy)formamide
SMILESCc1ccc(N(C=O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c1-11-2-4-12(5-3-11)15(10-17)20-14-8-6-13(7-9-14)16(18)19/h2-10H,1H3
InChIKeyBPHKIGXEQBIMCF-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds5

About N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide

N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide (PubChem CID 91170030) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-(4-nitrophenoxy)formamide
PubChem CID91170030
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(4-methylphenyl)-N-(4-nitrophenoxy)formamide
SMILESCc1ccc(N(C=O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c1-11-2-4-12(5-3-11)15(10-17)20-14-8-6-13(7-9-14)16(18)19/h2-10H,1H3
InChIKeyBPHKIGXEQBIMCF-UHFFFAOYSA-N
XLogP2.86
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide?
The IUPAC name of N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide (CID 91170030) is N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide.
What is the SMILES notation for N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide?
The canonical SMILES for N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide is Cc1ccc(N(C=O)Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide?
The InChIKey is BPHKIGXEQBIMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-11-2-4-12(5-3-11)15(10-17)20-14-8-6-13(7-9-14)16(18)19/h2-10H,1H3.
What are the key properties of N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide?
N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-(4-nitrophenoxy)formamide is sourced from PubChem (CID 91170030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).