2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide

C10H12FN3O3 — CID 60789586

IUPAC2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-13(2)9(15)6-12-8-5-3-4-7(11)10(8)14(16)17/h3-5,12H,6H2,1-2H3
InChIKeyKQVDGXQEDQGQNO-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.23
Rot. Bonds4

About 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide

2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide (PubChem CID 60789586) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
PubChem CID60789586
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cccc(F)c1[N+](=O)[O-]
InChIInChI=1S/C10H12FN3O3/c1-13(2)9(15)6-12-8-5-3-4-7(11)10(8)14(16)17/h3-5,12H,6H2,1-2H3
InChIKeyKQVDGXQEDQGQNO-UHFFFAOYSA-N
XLogP1.23
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.23
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

N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693
2-(3-cyano-2-nitroanilino)-N,N-dimethylacetamide
CID 113444929
2-(3,5-difluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 115507715
N-ethyl-2-(3-fluoro-2-nitroanilino)acetamide
CID 60788724
1-(2,6-difluorophenyl)-N'-(3-fluoro-2-nitrophenyl)-N,N-dimethylethane-1,2-diamine
CID 133314758
N'-(3-fluoro-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 60790330
N'-ethyl-N-(3-fluoro-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 62641440
N'-(3-fluoro-2-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 60578967
2-(4-bromo-5-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 66110858
ethyl 4-(3-fluoro-2-nitroanilino)butanoate
CID 64575091
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514
5-(3-fluoro-2-nitroanilino)pentanamide
CID 106238518

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide (CID 60789586) is 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide is CN(C)C(=O)CNc1cccc(F)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide?
The InChIKey is KQVDGXQEDQGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-13(2)9(15)6-12-8-5-3-4-7(11)10(8)14(16)17/h3-5,12H,6H2,1-2H3.
What are the key properties of 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide?
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide has a molecular weight of 241.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 60789586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).