2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline

C23H23F3IN5O — CID 10393202

IUPAC2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline
SMILESFc1cc(I)ccc1Nc1c(-c2nnc(N3CCCC3CN3CCCC3)o2)ccc(F)c1F
InChIInChI=1S/C23H23F3IN5O/c24-17-7-6-16(21(20(17)26)28-19-8-5-14(27)12-18(19)25)22-29-30-23(33-22)32-11-3-4-15(32)13-31-9-1-2-10-31/h5-8,12,15,28H,1-4,9-11,13H2
InChIKeyYRLZOHCOINYGQB-UHFFFAOYSA-N
MW569.37 g/mol
LogP5.57
Rot. Bonds6

About 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline

2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 10393202) has the molecular formula C23H23F3IN5O and a molecular weight of 569.37 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID10393202
Molecular FormulaC23H23F3IN5O
Molecular Weight569.37 g/mol
Exact Mass569.09
IUPAC Name2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline
SMILESFc1cc(I)ccc1Nc1c(-c2nnc(N3CCCC3CN3CCCC3)o2)ccc(F)c1F
InChIInChI=1S/C23H23F3IN5O/c24-17-7-6-16(21(20(17)26)28-19-8-5-14(27)12-18(19)25)22-29-30-23(33-22)32-11-3-4-15(32)13-31-9-1-2-10-31/h5-8,12,15,28H,1-4,9-11,13H2
InChIKeyYRLZOHCOINYGQB-UHFFFAOYSA-N
XLogP5.57
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-amine
CID 10325075
deuterium monohydride;5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
CID 161004349
3-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]propanoic acid
CID 10323837
N,N-diethyl-1-[5-[2-(4-ethyl-2-fluoroanilino)-3,4-difluorophenyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 10481129
N-[2-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]acetamide
CID 167239585
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
CID 151479405
6-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(4-ethynyl-2-fluorophenyl)-2,3-difluoroaniline
CID 59980991
[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 25027256
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
tert-butyl N-[2-[[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-N-methylcarbamate;N'-[5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethane-1,2-diamine;methanol;hydrochloride
CID 159374607
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
CID 140520700
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-methylcyclopropanesulfonamide
CID 53492153

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline (CID 10393202) is 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline is Fc1cc(I)ccc1Nc1c(-c2nnc(N3CCCC3CN3CCCC3)o2)ccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is YRLZOHCOINYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3IN5O/c24-17-7-6-16(21(20(17)26)28-19-8-5-14(27)12-18(19)25)22-29-30-23(33-22)32-11-3-4-15(32)13-31-9-1-2-10-31/h5-8,12,15,28H,1-4,9-11,13H2.
What are the key properties of 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline?
2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 569.37 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-fluoro-4-iodophenyl)-6-[5-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 10393202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).