3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

C12H16FN3O2 — CID 54950307

IUPAC3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-6-9(13)4-8(5-10(6)14)12(18)16-7(2)11(17)15-3/h4-5,7H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVJRVHCCTOGLPI-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.58
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide

3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 54950307) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID54950307
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCNC(=O)C(C)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C12H16FN3O2/c1-6-9(13)4-8(5-10(6)14)12(18)16-7(2)11(17)15-3/h4-5,7H,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVJRVHCCTOGLPI-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
4-amino-3-fluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 62680619
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-fluoro-4-methylbenzamide
CID 61476608
3-amino-4-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950805
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471765
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 54950307) is 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is CNC(=O)C(C)NC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is AVJRVHCCTOGLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-6-9(13)4-8(5-10(6)14)12(18)16-7(2)11(17)15-3/h4-5,7H,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide?
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 253.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 54950307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).