N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide

C12H16ClN3O3 — CID 82865144

IUPACN-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c1-4-14-12(2,3)11(17)15-8-5-6-10(16(18)19)9(13)7-8/h5-7,14H,4H2,1-3H3,(H,15,17)
InChIKeyWJSGAUJOSLCDLW-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.57
Rot. Bonds5

About N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide

N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 82865144) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID82865144
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC NameN-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C12H16ClN3O3/c1-4-14-12(2,3)11(17)15-8-5-6-10(16(18)19)9(13)7-8/h5-7,14H,4H2,1-3H3,(H,15,17)
InChIKeyWJSGAUJOSLCDLW-UHFFFAOYSA-N
XLogP2.57
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.57
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

N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
2-amino-N-(4-chloro-3-nitrophenyl)-2-methylpropanamide
CID 61266189
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
CID 114250279
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)butanamide
CID 58773677
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
3-(3-chloro-4-nitrophenoxy)-2-(ethylamino)-2-methylpropanoic acid
CID 62113628

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide (CID 82865144) is N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is WJSGAUJOSLCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-4-14-12(2,3)11(17)15-8-5-6-10(16(18)19)9(13)7-8/h5-7,14H,4H2,1-3H3,(H,15,17).
What are the key properties of N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide?
N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 285.73 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 82865144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).