N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide

C15H12FN3O2 — CID 71972950

IUPACN-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
SMILESN#Cc1c(F)cccc1Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C15H12FN3O2/c16-13-5-2-6-14(12(13)8-17)18-10-3-1-4-11(7-10)19-15(21)9-20/h1-7,18,20H,9H2,(H,19,21)
InChIKeyICLQBTGPUDGUPS-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.37
Rot. Bonds4

About N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide

N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide (PubChem CID 71972950) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
PubChem CID71972950
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
SMILESN#Cc1c(F)cccc1Nc1cccc(NC(=O)CO)c1
InChIInChI=1S/C15H12FN3O2/c16-13-5-2-6-14(12(13)8-17)18-10-3-1-4-11(7-10)19-15(21)9-20/h1-7,18,20H,9H2,(H,19,21)
InChIKeyICLQBTGPUDGUPS-UHFFFAOYSA-N
XLogP2.37
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
2-anilino-N-(2-cyano-3-fluorophenyl)acetamide
CID 60862601
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
4-(2-cyano-3-fluoroanilino)-3,5-difluorobenzoic acid
CID 63187452

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide (CID 71972950) is N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide is N#Cc1c(F)cccc1Nc1cccc(NC(=O)CO)c1.
What is the InChIKey of N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide?
The InChIKey is ICLQBTGPUDGUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-5-2-6-14(12(13)8-17)18-10-3-1-4-11(7-10)19-15(21)9-20/h1-7,18,20H,9H2,(H,19,21).
What are the key properties of N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide?
N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide has a molecular weight of 285.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide is sourced from PubChem (CID 71972950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).