5-(2-aminopropanoylamino)-2-fluorobenzamide

C10H12FN3O2 — CID 43706569

IUPAC5-(2-aminopropanoylamino)-2-fluorobenzamide
SMILESCC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C10H12FN3O2/c1-5(12)10(16)14-6-2-3-8(11)7(4-6)9(13)15/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUPDBVQNKHZFABY-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.21
Rot. Bonds3

About 5-(2-aminopropanoylamino)-2-fluorobenzamide

5-(2-aminopropanoylamino)-2-fluorobenzamide (PubChem CID 43706569) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 5-(2-aminopropanoylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(2-aminopropanoylamino)-2-fluorobenzamide
PubChem CID43706569
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name5-(2-aminopropanoylamino)-2-fluorobenzamide
SMILESCC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C10H12FN3O2/c1-5(12)10(16)14-6-2-3-8(11)7(4-6)9(13)15/h2-5H,12H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUPDBVQNKHZFABY-UHFFFAOYSA-N
XLogP0.21
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
5-[(2-amino-2-phenylacetyl)amino]-2-fluorobenzamide
CID 43706567
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
CID 116675472
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
N-(3-carbamothioyl-4-fluorophenyl)-2-methylbutanamide
CID 55057586

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropanoylamino)-2-fluorobenzamide?
The IUPAC name of 5-(2-aminopropanoylamino)-2-fluorobenzamide (CID 43706569) is 5-(2-aminopropanoylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(2-aminopropanoylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(2-aminopropanoylamino)-2-fluorobenzamide is CC(N)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-(2-aminopropanoylamino)-2-fluorobenzamide?
The InChIKey is UPDBVQNKHZFABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-5(12)10(16)14-6-2-3-8(11)7(4-6)9(13)15/h2-5H,12H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 5-(2-aminopropanoylamino)-2-fluorobenzamide?
5-(2-aminopropanoylamino)-2-fluorobenzamide has a molecular weight of 225.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropanoylamino)-2-fluorobenzamide is sourced from PubChem (CID 43706569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).