2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide

C11H12N2O4 — CID 113347528

IUPAC2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CC1CC1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H12N2O4/c14-10-4-3-8(13(16)17)6-9(10)12-11(15)5-7-1-2-7/h3-4,6-7,14H,1-2,5H2,(H,12,15)
InChIKeyFUSXQHCJFXBVPI-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.04
Rot. Bonds4

About 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide

2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 113347528) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID113347528
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CC1CC1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H12N2O4/c14-10-4-3-8(13(16)17)6-9(10)12-11(15)5-7-1-2-7/h3-4,6-7,14H,1-2,5H2,(H,12,15)
InChIKeyFUSXQHCJFXBVPI-UHFFFAOYSA-N
XLogP2.04
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 102560816
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
N-(2-hydroxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944777
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 113347528) is 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(CC1CC1)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is FUSXQHCJFXBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10-4-3-8(13(16)17)6-9(10)12-11(15)5-7-1-2-7/h3-4,6-7,14H,1-2,5H2,(H,12,15).
What are the key properties of 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 236.23 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 113347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).