N-[2-(4-nitrophenyl)ethyl]formamide

C9H10N2O3 — CID 64992334

IUPACN-[2-(4-nitrophenyl)ethyl]formamide
SMILESO=CNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-4,7H,5-6H2,(H,10,12)
InChIKeyZYNYICQRZBLMCB-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(4-nitrophenyl)ethyl]formamide

N-[2-(4-nitrophenyl)ethyl]formamide (PubChem CID 64992334) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]formamide
PubChem CID64992334
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-[2-(4-nitrophenyl)ethyl]formamide
SMILESO=CNCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-4,7H,5-6H2,(H,10,12)
InChIKeyZYNYICQRZBLMCB-UHFFFAOYSA-N
XLogP0.88
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-(4-nitrophenyl)-N-[(E)-2-phenylethenyl]ethanamine
CID 175678734
2-(4-nitrophenyl)ethylhydrazine;hydrochloride
CID 69415897
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
3,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61221202
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
2-(4-nitrophenyl)ethylazanium nitrate
CID 140513510
N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
CID 173432321
2-ethyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61220229
3-methyl-N-[2-(4-nitrophenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905303
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
4-[2-(4-nitrophenyl)ethylamino]butan-2-ol
CID 64912488

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]formamide?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]formamide (CID 64992334) is N-[2-(4-nitrophenyl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]formamide?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]formamide is O=CNCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]formamide?
The InChIKey is ZYNYICQRZBLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-7-10-6-5-8-1-3-9(4-2-8)11(13)14/h1-4,7H,5-6H2,(H,10,12).
What are the key properties of N-[2-(4-nitrophenyl)ethyl]formamide?
N-[2-(4-nitrophenyl)ethyl]formamide has a molecular weight of 194.19 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]formamide is sourced from PubChem (CID 64992334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).