N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide

C12H16FN3O3 — CID 115593557

IUPACN,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
SMILESCCN(CC)C(=O)CNc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-3-15(4-2)12(17)8-14-10-6-5-9(13)7-11(10)16(18)19/h5-7,14H,3-4,8H2,1-2H3
InChIKeyYSFBSKFXTWVRAC-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.01
Rot. Bonds6

About N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide

N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide (PubChem CID 115593557) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
PubChem CID115593557
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC NameN,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
SMILESCCN(CC)C(=O)CNc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16FN3O3/c1-3-15(4-2)12(17)8-14-10-6-5-9(13)7-11(10)16(18)19/h5-7,14H,3-4,8H2,1-2H3
InChIKeyYSFBSKFXTWVRAC-UHFFFAOYSA-N
XLogP2.01
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.01
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-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
N,N-diethyl-3-(5-fluoro-2-nitroanilino)propanamide
CID 62376068
N,N-diethyl-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
CID 115593556
N',N'-diethyl-N-(4-fluoro-2-nitrophenyl)propane-1,3-diamine
CID 115569606
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
CID 104925778
2-(2-cyano-4-nitroanilino)-N,N-diethylacetamide
CID 47419478
N-ethyl-N-[3-(4-fluoro-2-nitroanilino)propyl]methanesulfonamide
CID 47059534
2-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 79792495
3-(4-fluoro-2-nitroanilino)-N,2,2-trimethylpropanamide
CID 103823168
2-(4-fluoro-2-nitrophenyl)-1,1-dimethylhydrazine
CID 114449270
2,6-difluoro-4-[(4-fluoro-2-nitroanilino)methyl]phenol
CID 79882230
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide (CID 115593557) is N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide is CCN(CC)C(=O)CNc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide?
The InChIKey is YSFBSKFXTWVRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-3-15(4-2)12(17)8-14-10-6-5-9(13)7-11(10)16(18)19/h5-7,14H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide?
N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide has a molecular weight of 269.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide is sourced from PubChem (CID 115593557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).