N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide

C12H16FN3O4 — CID 104925827

IUPACN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN3O4/c1-4-15(2)12(17)7-14-9-6-11(20-3)10(16(18)19)5-8(9)13/h5-6,14H,4,7H2,1-3H3
InChIKeyYZBSRGYSZXALHP-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide

N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide (PubChem CID 104925827) has the molecular formula C12H16FN3O4 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
PubChem CID104925827
Molecular FormulaC12H16FN3O4
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide
SMILESCCN(C)C(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C12H16FN3O4/c1-4-15(2)12(17)7-14-9-6-11(20-3)10(16(18)19)5-8(9)13/h5-6,14H,4,7H2,1-3H3
InChIKeyYZBSRGYSZXALHP-UHFFFAOYSA-N
XLogP1.63
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)acetamide
CID 86802918
1-N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 102809457
ethyl 3-(2-fluoro-5-methoxy-4-nitroanilino)propanoate
CID 107260005
N-ethyl-2-(4-iodo-2-nitroanilino)-N-methylacetamide
CID 104925778
6-(2-fluoro-5-methoxy-4-nitroanilino)hexan-1-ol
CID 103918152
tert-butyl N-[2-(2-fluoro-5-methoxy-4-nitroanilino)ethyl]carbamate
CID 103883319
4-(2-fluoro-5-methoxy-4-nitroanilino)-3-methylbutanoic acid
CID 107260046
2-fluoro-5-methoxy-N-(3-methoxypropyl)-4-nitroaniline
CID 103867385
1-(2-fluoro-5-methoxy-4-nitroanilino)-3-methoxypropan-2-ol
CID 103867519
2-(2-fluoro-4-methylanilino)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 9100984
5-(2-fluoro-5-methoxy-4-nitroanilino)pentan-2-ol
CID 107269258
2-fluoro-5-methoxy-4-nitro-N-(3-propoxypropyl)aniline
CID 107260361

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide (CID 104925827) is N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide is CCN(C)C(=O)CNc1cc(OC)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide?
The InChIKey is YZBSRGYSZXALHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O4/c1-4-15(2)12(17)7-14-9-6-11(20-3)10(16(18)19)5-8(9)13/h5-6,14H,4,7H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide?
N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide has a molecular weight of 285.27 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-5-methoxy-4-nitroanilino)-N-methylacetamide is sourced from PubChem (CID 104925827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).