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

C11H13ClN2O4 — CID 103028854

IUPACN-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O4/c1-11(2,18-3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyLZWFEBUPPUZALS-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.61
Rot. Bonds4

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

N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103028854) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103028854
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O4/c1-11(2,18-3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyLZWFEBUPPUZALS-UHFFFAOYSA-N
XLogP2.61
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
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

1-tert-butyl-3-(4-chloro-2-nitrophenyl)urea
CID 113218543
2-(4-chlorophenoxy)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 2934377
methyl N-[(4-chloro-2-nitrophenyl)carbamothioyl]carbamate
CID 163863319
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
N-(4-chloro-2-nitrophenyl)-2-ethoxyacetamide
CID 60719107
3-(4-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185290
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
2-(4-chloro-2-nitroanilino)-2-methylpropan-1-ol
CID 2829608
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028928
3-(4-chloro-2-nitroanilino)-2,2-dimethylpropanamide
CID 60507711

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide (CID 103028854) is N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is LZWFEBUPPUZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-11(2,18-3)10(15)13-8-5-4-7(12)6-9(8)14(16)17/h4-6H,1-3H3,(H,13,15).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide?
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 272.69 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).