N-(2-chlorophenyl)-2-nitroacetamide

C8H7ClN2O3 — CID 15013666

IUPACN-(2-chlorophenyl)-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])Nc1ccccc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-6-3-1-2-4-7(6)10-8(12)5-11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyKBDVBFJLLXVGBF-UHFFFAOYSA-N
MW214.61 g/mol
LogP1.56
Rot. Bonds3

About N-(2-chlorophenyl)-2-nitroacetamide

N-(2-chlorophenyl)-2-nitroacetamide (PubChem CID 15013666) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-nitroacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-nitroacetamide
PubChem CID15013666
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC NameN-(2-chlorophenyl)-2-nitroacetamide
SMILESO=C(C[N+](=O)[O-])Nc1ccccc1Cl
InChIInChI=1S/C8H7ClN2O3/c9-6-3-1-2-4-7(6)10-8(12)5-11(13)14/h1-4H,5H2,(H,10,12)
InChIKeyKBDVBFJLLXVGBF-UHFFFAOYSA-N
XLogP1.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 51.56
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

N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 688188
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
[2-(2-chloroanilino)-2-oxoethyl]-[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9037855
4-[2-[4-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5120993
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
N-(2-chlorophenyl)hexanamide
CID 4644560

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-nitroacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-nitroacetamide (CID 15013666) is N-(2-chlorophenyl)-2-nitroacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-nitroacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-nitroacetamide is O=C(C[N+](=O)[O-])Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-nitroacetamide?
The InChIKey is KBDVBFJLLXVGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c9-6-3-1-2-4-7(6)10-8(12)5-11(13)14/h1-4H,5H2,(H,10,12).
What are the key properties of N-(2-chlorophenyl)-2-nitroacetamide?
N-(2-chlorophenyl)-2-nitroacetamide has a molecular weight of 214.61 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-nitroacetamide is sourced from PubChem (CID 15013666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).