3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide

C13H16FN3O2 — CID 54924427

IUPAC3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CNC1CC1
InChIInChI=1S/C13H16FN3O2/c1-7-10(14)4-8(13(15)19)5-11(7)17-12(18)6-16-9-2-3-9/h4-5,9,16H,2-3,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyGLUVROGEBHTQGJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.92
Rot. Bonds5

About 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide

3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide (PubChem CID 54924427) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
PubChem CID54924427
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CNC1CC1
InChIInChI=1S/C13H16FN3O2/c1-7-10(14)4-8(13(15)19)5-11(7)17-12(18)6-16-9-2-3-9/h4-5,9,16H,2-3,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyGLUVROGEBHTQGJ-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
3-[(3-aminocyclopentyl)amino]-5-fluoro-4-methylbenzamide
CID 79462509
3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 55732741
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 60940811
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
CID 55902715
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide (CID 54924427) is 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)CNC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide?
The InChIKey is GLUVROGEBHTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7-10(14)4-8(13(15)19)5-11(7)17-12(18)6-16-9-2-3-9/h4-5,9,16H,2-3,6H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide?
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide has a molecular weight of 265.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 54924427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).