[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid

C10H12FN3O3 — CID 155164610

IUPAC[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)Nc1cccc(F)c1N
InChIInChI=1S/C10H12FN3O3/c1-5(13-10(16)17)9(15)14-7-4-2-3-6(11)8(7)12/h2-5,13H,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyCCVNCUVQTAYTQU-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.00
Rot. Bonds3

About [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid

[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 155164610) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
PubChem CID155164610
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCC(NC(=O)O)C(=O)Nc1cccc(F)c1N
InChIInChI=1S/C10H12FN3O3/c1-5(13-10(16)17)9(15)14-7-4-2-3-6(11)8(7)12/h2-5,13H,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyCCVNCUVQTAYTQU-UHFFFAOYSA-N
XLogP1.00
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid (CID 155164610) is [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid is CC(NC(=O)O)C(=O)Nc1cccc(F)c1N.
What is the InChIKey of [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is CCVNCUVQTAYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c1-5(13-10(16)17)9(15)14-7-4-2-3-6(11)8(7)12/h2-5,13H,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid?
[1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 241.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-3-fluoroanilino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 155164610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).