N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide

C9H10ClN3O3 — CID 43218215

IUPACN-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-11-5-9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-4,11H,5H2,1H3,(H,12,14)
InChIKeyHFWMRCQECVEFLC-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.41
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide

N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide (PubChem CID 43218215) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
PubChem CID43218215
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H10ClN3O3/c1-11-5-9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-4,11H,5H2,1H3,(H,12,14)
InChIKeyHFWMRCQECVEFLC-UHFFFAOYSA-N
XLogP1.41
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
N-(2-chloro-4-nitrophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908576
N-(2-chloro-4-nitrophenyl)-4-hydroxybutanamide
CID 79200065
N-(2-chloro-4-nitrophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60868352
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
N-(2-chloro-4-nitrophenyl)heptanamide
CID 3321854
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
N-(2-chloro-4-nitrophenyl)-2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9254310
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-methoxyacetate
CID 8015310

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide (CID 43218215) is N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide is CNCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide?
The InChIKey is HFWMRCQECVEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c1-11-5-9(14)12-8-3-2-6(13(15)16)4-7(8)10/h2-4,11H,5H2,1H3,(H,12,14).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide?
N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide has a molecular weight of 243.65 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 43218215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).