2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide

C11H14IN3O3 — CID 66095124

IUPAC2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1I)C(=O)N(C)C
InChIInChI=1S/C11H14IN3O3/c1-7(11(16)14(2)3)13-10-5-4-8(15(17)18)6-9(10)12/h4-7,13H,1-3H3
InChIKeyPFGBQPDXFXCPSP-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.09
Rot. Bonds4

About 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide

2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide (PubChem CID 66095124) has the molecular formula C11H14IN3O3 and a molecular weight of 363.16 g/mol. Its IUPAC name is 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide
PubChem CID66095124
Molecular FormulaC11H14IN3O3
Molecular Weight363.16 g/mol
Exact Mass363.01
IUPAC Name2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1I)C(=O)N(C)C
InChIInChI=1S/C11H14IN3O3/c1-7(11(16)14(2)3)13-10-5-4-8(15(17)18)6-9(10)12/h4-7,13H,1-3H3
InChIKeyPFGBQPDXFXCPSP-UHFFFAOYSA-N
XLogP2.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

2-[2-(difluoromethyl)-4-nitroanilino]-N,N-dimethylpropanamide
CID 63735288
2-(4-chloro-2-iodoanilino)-N,N-dimethylpropanamide
CID 107635072
2-N-(2-iodo-4-nitrophenyl)propane-1,2-diamine
CID 66093085
2-iodo-N-(4-methylpentan-2-yl)-4-nitroaniline
CID 66093267
2-(2-iodo-4-nitroanilino)propane-1,3-diol
CID 66093079
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-methyl-3-nitrobenzamide
CID 78969756
3-(2-iodo-4-nitroanilino)-2-methylsulfanylbutan-1-ol
CID 106158863
2-iodo-N-(4-methoxybutan-2-yl)-4-nitroaniline
CID 66094726
2-N-(2-iodo-4-nitrophenyl)-4-methylpentane-1,2-diamine
CID 66093296
2-iodo-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
CID 66092862
N-[1-(2-chlorophenyl)ethyl]-2-iodo-4-nitroaniline
CID 66093276

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide (CID 66095124) is 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide is CC(Nc1ccc([N+](=O)[O-])cc1I)C(=O)N(C)C.
What is the InChIKey of 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide?
The InChIKey is PFGBQPDXFXCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O3/c1-7(11(16)14(2)3)13-10-5-4-8(15(17)18)6-9(10)12/h4-7,13H,1-3H3.
What are the key properties of 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide?
2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide has a molecular weight of 363.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-4-nitroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 66095124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).