N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide

C11H14IN3O3 — CID 104925778

IUPACN-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14IN3O3/c1-3-14(2)11(16)7-13-9-5-4-8(12)6-10(9)15(17)18/h4-6,13H,3,7H2,1-2H3
InChIKeyZFPWPIDEZGOBLS-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide

N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide (PubChem CID 104925778) has the molecular formula C11H14IN3O3 and a molecular weight of 363.16 g/mol. Its IUPAC name is N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
PubChem CID104925778
Molecular FormulaC11H14IN3O3
Molecular Weight363.16 g/mol
Exact Mass363.01
IUPAC NameN-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14IN3O3/c1-3-14(2)11(16)7-13-9-5-4-8(12)6-10(9)15(17)18/h4-6,13H,3,7H2,1-2H3
InChIKeyZFPWPIDEZGOBLS-UHFFFAOYSA-N
XLogP2.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
CID 104925827
N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
CID 115593557
N-ethyl-N-methyl-2-(4-methyl-3-nitroanilino)acetamide
CID 114133940
N-methyl-2-(4-methyl-2-nitroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 133340888
N-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66082684
1-(4-iodo-2-nitroanilino)pentan-3-ol
CID 115702114
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
2-(4-iodo-2-nitroanilino)-2-methylpropan-1-ol
CID 66064486
N-tert-butyl-4-iodo-2-nitroaniline
CID 162381506
3-(4-iodo-2-nitroanilino)propyl acetate
CID 126688448
4-iodo-N-(2-methylsulfonylethyl)-2-nitroaniline
CID 66064095
4-iodo-N-(3-methylsulfanylbutyl)-2-nitroaniline
CID 113494051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide (CID 104925778) is N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide is CCN(C)C(=O)CNc1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide?
The InChIKey is ZFPWPIDEZGOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O3/c1-3-14(2)11(16)7-13-9-5-4-8(12)6-10(9)15(17)18/h4-6,13H,3,7H2,1-2H3.
What are the key properties of N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide?
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide has a molecular weight of 363.16 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide is sourced from PubChem (CID 104925778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).