N-(4-formyl-2-nitrophenyl)propanamide

C10H10N2O4 — CID 57037732

IUPACN-(4-formyl-2-nitrophenyl)propanamide
SMILESCCC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-2-10(14)11-8-4-3-7(6-13)5-9(8)12(15)16/h3-6H,2H2,1H3,(H,11,14)
InChIKeyBJXFZOSYMDKMAQ-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.76
Rot. Bonds4

About N-(4-formyl-2-nitrophenyl)propanamide

N-(4-formyl-2-nitrophenyl)propanamide (PubChem CID 57037732) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is N-(4-formyl-2-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(4-formyl-2-nitrophenyl)propanamide
PubChem CID57037732
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC NameN-(4-formyl-2-nitrophenyl)propanamide
SMILESCCC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N2O4/c1-2-10(14)11-8-4-3-7(6-13)5-9(8)12(15)16/h3-6H,2H2,1H3,(H,11,14)
InChIKeyBJXFZOSYMDKMAQ-UHFFFAOYSA-N
XLogP1.76
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
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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Related Compounds

3-nitro-4-(pentan-3-ylamino)benzaldehyde
CID 78907021
4-(2,2-dimethylhydrazinyl)-3-nitrobenzaldehyde
CID 83107477
ethyl 2-(4-formyl-2-nitroanilino)propanoate
CID 83105127
4-(1,3-dihydroxypropan-2-ylamino)-3-nitrobenzaldehyde
CID 83108306
3-nitro-4-(octylamino)benzaldehyde
CID 83108802
N-[3-nitro-4-(propylamino)phenyl]propanamide
CID 90820833
4-(4-hydroxybutan-2-ylamino)-3-nitrobenzaldehyde
CID 83187762
4-(3-methylbutan-2-ylamino)-3-nitrobenzaldehyde
CID 78906939
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
4-(4-formyl-2-nitroanilino)benzoic acid
CID 118007755
4-(2-methylsulfanylethylamino)-3-nitrobenzaldehyde
CID 78906942
3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
CID 106177769

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2-nitrophenyl)propanamide?
The IUPAC name of N-(4-formyl-2-nitrophenyl)propanamide (CID 57037732) is N-(4-formyl-2-nitrophenyl)propanamide.
What is the SMILES notation for N-(4-formyl-2-nitrophenyl)propanamide?
The canonical SMILES for N-(4-formyl-2-nitrophenyl)propanamide is CCC(=O)Nc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-formyl-2-nitrophenyl)propanamide?
The InChIKey is BJXFZOSYMDKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-10(14)11-8-4-3-7(6-13)5-9(8)12(15)16/h3-6H,2H2,1H3,(H,11,14).
What are the key properties of N-(4-formyl-2-nitrophenyl)propanamide?
N-(4-formyl-2-nitrophenyl)propanamide has a molecular weight of 222.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2-nitrophenyl)propanamide is sourced from PubChem (CID 57037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).