N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

C16H14F3IN2O3 — CID 175276663

IUPACN-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
SMILESO=C(NCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14F3IN2O3/c17-11-3-2-10(16(25)21-6-9(24)7-23)15(14(11)19)22-13-4-1-8(20)5-12(13)18/h1-5,9,22-24H,6-7H2,(H,21,25)
InChIKeyBPIUFCYFHNBQFQ-UHFFFAOYSA-N
MW466.20 g/mol
LogP2.54
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide (PubChem CID 175276663) has the molecular formula C16H14F3IN2O3 and a molecular weight of 466.20 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
PubChem CID175276663
Molecular FormulaC16H14F3IN2O3
Molecular Weight466.20 g/mol
Exact Mass466.00
IUPAC NameN-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
SMILESO=C(NCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14F3IN2O3/c17-11-3-2-10(16(25)21-6-9(24)7-23)15(14(11)19)22-13-4-1-8(20)5-12(13)18/h1-5,9,22-24H,6-7H2,(H,21,25)
InChIKeyBPIUFCYFHNBQFQ-UHFFFAOYSA-N
XLogP2.54
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.20
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
2,3,3-trideuterio-3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxy-2-hydroxypropanoic acid
CID 169445374
N-chloro-2-(2-chloro-4-iodoanilino)-N-(2,3-dihydroxypropoxy)-3,4-difluorobenzamide
CID 91478958
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757
N-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)-2-methylpyrimidine-4-carboxamide
CID 90656538
2-chloro-N-[(2S)-2,3-dihydroxypropyl]-5-(2-fluoro-4-iodoanilino)pyrimidine-4-carboxamide
CID 90656549
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052
N-(3,4-dihydroxybutyl)-7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methylbenzimidazole-5-carboxamide
CID 58781090
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-N-hydroxyazetidine-3-carboxamide
CID 87589073

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide (CID 175276663) is N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide is O=C(NCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide?
The InChIKey is BPIUFCYFHNBQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3IN2O3/c17-11-3-2-10(16(25)21-6-9(24)7-23)15(14(11)19)22-13-4-1-8(20)5-12(13)18/h1-5,9,22-24H,6-7H2,(H,21,25).
What are the key properties of N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide?
N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide has a molecular weight of 466.20 g/mol, XLogP of 2.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide is sourced from PubChem (CID 175276663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).