3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide

C10H9ClF2INO2 — CID 103770165

IUPAC3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
SMILESO=C(NCC(O)C(F)F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H9ClF2INO2/c11-6-3-5(1-2-7(6)14)10(17)15-4-8(16)9(12)13/h1-3,8-9,16H,4H2,(H,15,17)
InChIKeyPRTICFSFXCXIDW-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.30
Rot. Bonds4

About 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide

3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide (PubChem CID 103770165) has the molecular formula C10H9ClF2INO2 and a molecular weight of 375.54 g/mol. Its IUPAC name is 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
PubChem CID103770165
Molecular FormulaC10H9ClF2INO2
Molecular Weight375.54 g/mol
Exact Mass374.93
IUPAC Name3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
SMILESO=C(NCC(O)C(F)F)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H9ClF2INO2/c11-6-3-5(1-2-7(6)14)10(17)15-4-8(16)9(12)13/h1-3,8-9,16H,4H2,(H,15,17)
InChIKeyPRTICFSFXCXIDW-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfonylbenzamide
CID 103769758
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
N-(3,3-difluoro-2-hydroxypropyl)-4-propan-2-ylbenzamide
CID 103770174
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide?
The IUPAC name of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide (CID 103770165) is 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide is O=C(NCC(O)C(F)F)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide?
The InChIKey is PRTICFSFXCXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2INO2/c11-6-3-5(1-2-7(6)14)10(17)15-4-8(16)9(12)13/h1-3,8-9,16H,4H2,(H,15,17).
What are the key properties of 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide?
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide has a molecular weight of 375.54 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide is sourced from PubChem (CID 103770165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).