2-(3-fluoroanilino)-3-hydroxypropanamide

C9H11FN2O2 — CID 104711180

IUPAC2-(3-fluoroanilino)-3-hydroxypropanamide
SMILESNC(=O)C(CO)Nc1cccc(F)c1
InChIInChI=1S/C9H11FN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14)
InChIKeyQITVWJPYIDBQSL-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.08
Rot. Bonds4

About 2-(3-fluoroanilino)-3-hydroxypropanamide

2-(3-fluoroanilino)-3-hydroxypropanamide (PubChem CID 104711180) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-3-hydroxypropanamide
PubChem CID104711180
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-(3-fluoroanilino)-3-hydroxypropanamide
SMILESNC(=O)C(CO)Nc1cccc(F)c1
InChIInChI=1S/C9H11FN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14)
InChIKeyQITVWJPYIDBQSL-UHFFFAOYSA-N
XLogP0.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
3-hydroxy-2-(3-methylanilino)propanamide
CID 104711172
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
tert-butyl N-[5-amino-4-(3-fluoroanilino)-2-methyl-5-oxopentan-2-yl]carbamate
CID 112753975
2-[[4-[(3-fluorophenyl)methylamino]phenyl]methylamino]-3-hydroxypropanamide
CID 141192165
2-(3-fluoroanilino)-4-phenylbutanoic acid
CID 62880426
2-(3-fluoroanilino)-2-(2,4,6-trimethylphenyl)acetamide
CID 60996177
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)acetamide
CID 81437584
2-(3-fluoroanilino)-2-(2-methoxyphenyl)acetamide
CID 60995341
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-3-hydroxypropanamide?
The IUPAC name of 2-(3-fluoroanilino)-3-hydroxypropanamide (CID 104711180) is 2-(3-fluoroanilino)-3-hydroxypropanamide.
What is the SMILES notation for 2-(3-fluoroanilino)-3-hydroxypropanamide?
The canonical SMILES for 2-(3-fluoroanilino)-3-hydroxypropanamide is NC(=O)C(CO)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-3-hydroxypropanamide?
The InChIKey is QITVWJPYIDBQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-6-2-1-3-7(4-6)12-8(5-13)9(11)14/h1-4,8,12-13H,5H2,(H2,11,14).
What are the key properties of 2-(3-fluoroanilino)-3-hydroxypropanamide?
2-(3-fluoroanilino)-3-hydroxypropanamide has a molecular weight of 198.20 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-3-hydroxypropanamide is sourced from PubChem (CID 104711180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).