3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide

C11H13ClN2O3 — CID 63679610

IUPAC3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14(16)17/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeySGTCOIYSCGAXPN-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.80
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide

3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide (PubChem CID 63679610) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
PubChem CID63679610
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13ClN2O3/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14(16)17/h3-6H,7H2,1-2H3,(H,13,15)
InChIKeySGTCOIYSCGAXPN-UHFFFAOYSA-N
XLogP2.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
3-chloro-N-(2-nitrophenyl)propanamide
CID 4318991
3-chloro-2,2-dimethyl-N-[2-[(4-methyl-3-nitrophenyl)methylsulfanyl]phenyl]propanamide
CID 10194176
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
CID 63680184
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
1-(2-nitrophenyl)-3-propylurea
CID 31682023
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-nitrophenyl)propanamide
CID 111750469
3-chloro-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63679036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide (CID 63679610) is 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide is CC(C)(CCl)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide?
The InChIKey is SGTCOIYSCGAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-11(2,7-12)10(15)13-8-5-3-4-6-9(8)14(16)17/h3-6H,7H2,1-2H3,(H,13,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide?
3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide has a molecular weight of 256.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 63679610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).