N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide

C10H12N2O4 — CID 144842901

IUPACN-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide
SMILESCc1cc(NC=O)c([N+](=O)[O-])cc1CCO
InChIInChI=1S/C10H12N2O4/c1-7-4-9(11-6-14)10(12(15)16)5-8(7)2-3-13/h4-6,13H,2-3H2,1H3,(H,11,14)
InChIKeyNVARYNYQBHRZEK-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.01
Rot. Bonds5

About N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide

N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide (PubChem CID 144842901) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide
PubChem CID144842901
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide
SMILESCc1cc(NC=O)c([N+](=O)[O-])cc1CCO
InChIInChI=1S/C10H12N2O4/c1-7-4-9(11-6-14)10(12(15)16)5-8(7)2-3-13/h4-6,13H,2-3H2,1H3,(H,11,14)
InChIKeyNVARYNYQBHRZEK-UHFFFAOYSA-N
XLogP1.01
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.01
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide (CID 144842901) is N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide is Cc1cc(NC=O)c([N+](=O)[O-])cc1CCO.
What is the InChIKey of N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide?
The InChIKey is NVARYNYQBHRZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7-4-9(11-6-14)10(12(15)16)5-8(7)2-3-13/h4-6,13H,2-3H2,1H3,(H,11,14).
What are the key properties of N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide?
N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide has a molecular weight of 224.22 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-5-methyl-2-nitrophenyl]formamide is sourced from PubChem (CID 144842901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).