3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide

C12H14FN3O2 — CID 60841451

IUPAC3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H14FN3O2/c13-9-4-1-7(12(14)18)5-10(9)16-11(17)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2,(H2,14,18)(H,16,17)
InChIKeySEOHMPWKRJTSLR-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.62
Rot. Bonds5

About 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide

3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide (PubChem CID 60841451) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
PubChem CID60841451
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(NC(=O)CNC2CC2)c1
InChIInChI=1S/C12H14FN3O2/c13-9-4-1-7(12(14)18)5-10(9)16-11(17)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2,(H2,14,18)(H,16,17)
InChIKeySEOHMPWKRJTSLR-UHFFFAOYSA-N
XLogP0.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
methyl 3-[[2-(cyclopentylamino)acetyl]amino]-4-fluorobenzoate
CID 60848172
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide?
The IUPAC name of 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide (CID 60841451) is 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide?
The canonical SMILES for 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide is NC(=O)c1ccc(F)c(NC(=O)CNC2CC2)c1.
What is the InChIKey of 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide?
The InChIKey is SEOHMPWKRJTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-9-4-1-7(12(14)18)5-10(9)16-11(17)6-15-8-2-3-8/h1,4-5,8,15H,2-3,6H2,(H2,14,18)(H,16,17).
What are the key properties of 3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide?
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide has a molecular weight of 251.26 g/mol, XLogP of 0.62, 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]-4-fluorobenzamide is sourced from PubChem (CID 60841451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).