N-(2-chloro-4-nitrophenyl)-2-methylpropanamide

C10H11ClN2O3 — CID 3512908

IUPACN-(2-chloro-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-6(2)10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-6H,1-2H3,(H,12,14)
InChIKeyGVAXQKBMOYAIRT-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.84
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)-2-methylpropanamide

N-(2-chloro-4-nitrophenyl)-2-methylpropanamide (PubChem CID 3512908) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-methylpropanamide
PubChem CID3512908
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O3/c1-6(2)10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-6H,1-2H3,(H,12,14)
InChIKeyGVAXQKBMOYAIRT-UHFFFAOYSA-N
XLogP2.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.84
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

2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
2-(2-methylpropanoylamino)-5-nitrobenzoic acid
CID 16770490
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 2-methylpropanoate
CID 42963091
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(2-chloro-4-nitrophenyl)-4-hydroxypentanamide
CID 79200154
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 42044882
(2R)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040883
[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-methylbut-2-enoate
CID 3964783
(2S)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040882

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-methylpropanamide (CID 3512908) is N-(2-chloro-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is GVAXQKBMOYAIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-6(2)10(14)12-9-4-3-7(13(15)16)5-8(9)11/h3-6H,1-2H3,(H,12,14).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-methylpropanamide?
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 242.66 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 3512908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).