N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide

C10H10FN3O5 — CID 103297660

IUPACN-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NOCC(N)=O)c1F
InChIInChI=1S/C10H10FN3O5/c1-5-2-6(14(17)18)3-7(9(5)11)10(16)13-19-4-8(12)15/h2-3H,4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyXZRSEKNAXSNANK-UHFFFAOYSA-N
MW271.20 g/mol
LogP0.19
Rot. Bonds5

About N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide

N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide (PubChem CID 103297660) has the molecular formula C10H10FN3O5 and a molecular weight of 271.20 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide
PubChem CID103297660
Molecular FormulaC10H10FN3O5
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC NameN-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])cc(C(=O)NOCC(N)=O)c1F
InChIInChI=1S/C10H10FN3O5/c1-5-2-6(14(17)18)3-7(9(5)11)10(16)13-19-4-8(12)15/h2-3H,4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyXZRSEKNAXSNANK-UHFFFAOYSA-N
XLogP0.19
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
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

2-fluoro-3-methyl-N-(2-methylpropoxy)-5-nitrobenzamide
CID 103297655
N-(2-aminoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297273
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297714
2-fluoro-3-methyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 103297088
2-fluoro-3-methyl-5-nitro-N-prop-2-ynylbenzamide
CID 103297090
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
1-(2-fluoro-3-methyl-5-nitrophenyl)ethanone
CID 131091224
2-fluoro-N-(4-methoxybutyl)-3-methyl-5-nitrobenzamide
CID 103297310
N-(1-aminobutan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297737
2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-5-nitrobenzamide
CID 103297678
N-(2-cyanoethyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297255

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide (CID 103297660) is N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide is Cc1cc([N+](=O)[O-])cc(C(=O)NOCC(N)=O)c1F.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide?
The InChIKey is XZRSEKNAXSNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O5/c1-5-2-6(14(17)18)3-7(9(5)11)10(16)13-19-4-8(12)15/h2-3H,4H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide?
N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide has a molecular weight of 271.20 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-2-fluoro-3-methyl-5-nitrobenzamide is sourced from PubChem (CID 103297660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).