2-(4-fluoro-5-methyl-2-nitroanilino)acetamide

C9H10FN3O3 — CID 103591433

IUPAC2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
SMILESCc1cc(NCC(N)=O)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H10FN3O3/c1-5-2-7(12-4-9(11)14)8(13(15)16)3-6(5)10/h2-3,12H,4H2,1H3,(H2,11,14)
InChIKeyJMGNHZQJEFXCPQ-UHFFFAOYSA-N
MW227.19 g/mol
LogP0.94
Rot. Bonds4

About 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide

2-(4-fluoro-5-methyl-2-nitroanilino)acetamide (PubChem CID 103591433) has the molecular formula C9H10FN3O3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
PubChem CID103591433
Molecular FormulaC9H10FN3O3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
SMILESCc1cc(NCC(N)=O)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H10FN3O3/c1-5-2-7(12-4-9(11)14)8(13(15)16)3-6(5)10/h2-3,12H,4H2,1H3,(H2,11,14)
InChIKeyJMGNHZQJEFXCPQ-UHFFFAOYSA-N
XLogP0.94
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
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

2-[[2-(4-fluoro-5-methyl-2-nitroanilino)acetyl]amino]acetic acid
CID 103591117
3-(4-fluoro-5-methyl-2-nitroanilino)propanoic acid
CID 103591110
1-(4-fluoro-5-methyl-2-nitroanilino)-2-methylpropan-2-ol
CID 103591758
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
N'-(4-fluoro-5-methyl-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 103594147
4-fluoro-5-methyl-2-nitro-N-prop-2-enylaniline
CID 103591656
2,2-difluoro-3-(4-fluoro-5-methyl-2-nitroanilino)propan-1-ol
CID 106177984
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
2-ethyl-2-[(4-fluoro-5-methyl-2-nitroanilino)methyl]butan-1-ol
CID 106257975
4-fluoro-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-2-nitroaniline
CID 103591637
methyl 6-(4-fluoro-5-methyl-2-nitroanilino)hexanoate
CID 103594320
4-[(4-fluoro-5-methyl-2-nitroanilino)methyl]-1-methylpyrazol-5-amine
CID 103594222

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide?
The IUPAC name of 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide (CID 103591433) is 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide.
What is the SMILES notation for 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide?
The canonical SMILES for 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide is Cc1cc(NCC(N)=O)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide?
The InChIKey is JMGNHZQJEFXCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O3/c1-5-2-7(12-4-9(11)14)8(13(15)16)3-6(5)10/h2-3,12H,4H2,1H3,(H2,11,14).
What are the key properties of 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide?
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide has a molecular weight of 227.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methyl-2-nitroanilino)acetamide is sourced from PubChem (CID 103591433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).