2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide

C10H11FN4O4 — CID 107122948

IUPAC2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11FN4O4/c1-13-7(16)4-14-10(17)8-5(11)2-3-6(9(8)12)15(18)19/h2-3H,4,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKSRQHOVODPGVLS-UHFFFAOYSA-N
MW270.22 g/mol
LogP-0.21
Rot. Bonds4

About 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide

2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide (PubChem CID 107122948) has the molecular formula C10H11FN4O4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
PubChem CID107122948
Molecular FormulaC10H11FN4O4
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
SMILESCNC(=O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11FN4O4/c1-13-7(16)4-14-10(17)8-5(11)2-3-6(9(8)12)15(18)19/h2-3H,4,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyKSRQHOVODPGVLS-UHFFFAOYSA-N
XLogP-0.21
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 113252599
2-amino-6-fluoro-N-(3-methylbutyl)-3-nitrobenzamide
CID 107122826
2-amino-N-(2-ethylbutyl)-6-fluoro-3-nitrobenzamide
CID 107123381
2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-6-fluoro-3-nitrobenzamide
CID 107123111
2-amino-6-fluoro-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 107122853
2-amino-6-fluoro-3-nitro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432962
2,6-difluoro-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103740568
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 107122944
2-amino-6-fluoro-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 107123180
4-fluoro-5-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 62242120
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)-3-nitrobenzamide
CID 107123219
2-amino-6-fluoro-N-hexan-2-yl-3-nitrobenzamide
CID 107123118

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The IUPAC name of 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide (CID 107122948) is 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The canonical SMILES for 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide is CNC(=O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
The InChIKey is KSRQHOVODPGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O4/c1-13-7(16)4-14-10(17)8-5(11)2-3-6(9(8)12)15(18)19/h2-3H,4,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide?
2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide has a molecular weight of 270.22 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide is sourced from PubChem (CID 107122948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).