3-[(2-aminoacetyl)amino]-4-fluorobenzamide

C9H10FN3O2 — CID 43706066

IUPAC3-[(2-aminoacetyl)amino]-4-fluorobenzamide
SMILESNCC(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C9H10FN3O2/c10-6-2-1-5(9(12)15)3-7(6)13-8(14)4-11/h1-3H,4,11H2,(H2,12,15)(H,13,14)
InChIKeyMHDMWJQZGZQZOW-UHFFFAOYSA-N
MW211.20 g/mol
LogP-0.18
Rot. Bonds3

About 3-[(2-aminoacetyl)amino]-4-fluorobenzamide

3-[(2-aminoacetyl)amino]-4-fluorobenzamide (PubChem CID 43706066) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-4-fluorobenzamide
PubChem CID43706066
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name3-[(2-aminoacetyl)amino]-4-fluorobenzamide
SMILESNCC(=O)Nc1cc(C(N)=O)ccc1F
InChIInChI=1S/C9H10FN3O2/c10-6-2-1-5(9(12)15)3-7(6)13-8(14)4-11/h1-3H,4,11H2,(H2,12,15)(H,13,14)
InChIKeyMHDMWJQZGZQZOW-UHFFFAOYSA-N
XLogP-0.18
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
3-[(2-ethoxyacetyl)amino]-4-fluorobenzamide
CID 60785607
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
CID 107337783
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-4-fluorobenzamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-4-fluorobenzamide (CID 43706066) is 3-[(2-aminoacetyl)amino]-4-fluorobenzamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-4-fluorobenzamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-4-fluorobenzamide is NCC(=O)Nc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-4-fluorobenzamide?
The InChIKey is MHDMWJQZGZQZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-2-1-5(9(12)15)3-7(6)13-8(14)4-11/h1-3H,4,11H2,(H2,12,15)(H,13,14).
What are the key properties of 3-[(2-aminoacetyl)amino]-4-fluorobenzamide?
3-[(2-aminoacetyl)amino]-4-fluorobenzamide has a molecular weight of 211.20 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-4-fluorobenzamide is sourced from PubChem (CID 43706066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).