(2R)-N-(4-aminophenyl)-2-fluoropropanamide

C9H11FN2O — CID 131168097

IUPAC(2R)-N-(4-aminophenyl)-2-fluoropropanamide
SMILESC[C@@H](F)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H11FN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyGKRVUJQSUXSTHR-ZCFIWIBFSA-N
MW182.20 g/mol
LogP1.57
Rot. Bonds2

About (2R)-N-(4-aminophenyl)-2-fluoropropanamide

(2R)-N-(4-aminophenyl)-2-fluoropropanamide (PubChem CID 131168097) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (2R)-N-(4-aminophenyl)-2-fluoropropanamide.

Molecular Properties

Compound Name(2R)-N-(4-aminophenyl)-2-fluoropropanamide
PubChem CID131168097
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(2R)-N-(4-aminophenyl)-2-fluoropropanamide
SMILESC[C@@H](F)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C9H11FN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyGKRVUJQSUXSTHR-ZCFIWIBFSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
4-Aminoacetanilide
CID 31230
Chloroacetanilide
CID 11485
Acetoacetanilide
CID 7592
Thioglycolic acid anilide
CID 10382
Arsacetin
CID 95019
4-Nitroacetanilide
CID 7691
Adipic dianilide
CID 20523
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
2-Aminoacetanilide
CID 208384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminophenyl)-2-fluoropropanamide?
The IUPAC name of (2R)-N-(4-aminophenyl)-2-fluoropropanamide (CID 131168097) is (2R)-N-(4-aminophenyl)-2-fluoropropanamide.
What is the SMILES notation for (2R)-N-(4-aminophenyl)-2-fluoropropanamide?
The canonical SMILES for (2R)-N-(4-aminophenyl)-2-fluoropropanamide is C[C@@H](F)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of (2R)-N-(4-aminophenyl)-2-fluoropropanamide?
The InChIKey is GKRVUJQSUXSTHR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6(10)9(13)12-8-4-2-7(11)3-5-8/h2-6H,11H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-N-(4-aminophenyl)-2-fluoropropanamide?
(2R)-N-(4-aminophenyl)-2-fluoropropanamide has a molecular weight of 182.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminophenyl)-2-fluoropropanamide is sourced from PubChem (CID 131168097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).