N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride

C10H13ClN2O3 — CID 119093580

IUPACN-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H12N2O3.ClH/c1-8(13)11-7-6-9-4-2-3-5-10(9)12(14)15;/h2-5H,6-7H2,1H3,(H,11,13);1H
InChIKeyAGCPYQDXOHFJTQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.70
Rot. Bonds4

About N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride

N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119093580) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
PubChem CID119093580
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC NameN-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C10H12N2O3.ClH/c1-8(13)11-7-6-9-4-2-3-5-10(9)12(14)15;/h2-5H,6-7H2,1H3,(H,11,13);1H
InChIKeyAGCPYQDXOHFJTQ-UHFFFAOYSA-N
XLogP1.70
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119802904
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
N-[2-(2-nitrophenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119802906
3-[2-(2-nitrophenyl)ethylamino]propanamide
CID 55146808
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
CID 63062439
(2-nitrophenyl)methylcarbamic acid
CID 18621803

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride (CID 119093580) is N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is AGCPYQDXOHFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.ClH/c1-8(13)11-7-6-9-4-2-3-5-10(9)12(14)15;/h2-5H,6-7H2,1H3,(H,11,13);1H.
What are the key properties of N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119093580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).