3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide

C10H11N3O5 — CID 106177769

IUPAC3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O5/c11-10(16)9(15)4-12-7-2-1-6(5-14)3-8(7)13(17)18/h1-3,5,9,12,15H,4H2,(H2,11,16)
InChIKeyQJHCBFVRCCKBJH-UHFFFAOYSA-N
MW253.21 g/mol
LogP-0.33
Rot. Bonds6

About 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide

3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide (PubChem CID 106177769) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
PubChem CID106177769
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O5/c11-10(16)9(15)4-12-7-2-1-6(5-14)3-8(7)13(17)18/h1-3,5,9,12,15H,4H2,(H2,11,16)
InChIKeyQJHCBFVRCCKBJH-UHFFFAOYSA-N
XLogP-0.33
TPSA135.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-nitrobenzoic acid
CID 106177297
4-(2-methoxypropylamino)-3-nitrobenzaldehyde
CID 102699055
4-(1,3-dihydroxypropan-2-ylamino)-3-nitrobenzaldehyde
CID 83108306
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
CID 106239852
4-(4-hydroxybutan-2-ylamino)-3-nitrobenzaldehyde
CID 83187762
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
4-[(2-hydroxyphenyl)methylamino]-3-nitrobenzaldehyde
CID 114332727
4-[[(2R)-2-(diethylamino)-2-phenylethyl]amino]-3-nitrobenzaldehyde
CID 9108245
N-(4-formyl-2-nitrophenyl)propanamide
CID 57037732
3-(4-formyl-2-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868874
ethyl 2-(4-formyl-2-nitroanilino)propanoate
CID 83105127
4-(3-methylbutan-2-ylamino)-3-nitrobenzaldehyde
CID 78906939

Frequently Asked Questions

What is the IUPAC name of 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide?
The IUPAC name of 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide (CID 106177769) is 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide?
The canonical SMILES for 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide is NC(=O)C(O)CNc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide?
The InChIKey is QJHCBFVRCCKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c11-10(16)9(15)4-12-7-2-1-6(5-14)3-8(7)13(17)18/h1-3,5,9,12,15H,4H2,(H2,11,16).
What are the key properties of 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide?
3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide has a molecular weight of 253.21 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide is sourced from PubChem (CID 106177769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).