5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide

C11H11ClF2INO3 — CID 103770514

IUPAC5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H11ClF2INO3/c1-19-9-3-7(15)6(12)2-5(9)11(18)16-4-8(17)10(13)14/h2-3,8,10,17H,4H2,1H3,(H,16,18)
InChIKeyPDQJTOKFKMIFSP-UHFFFAOYSA-N
MW405.57 g/mol
LogP2.31
Rot. Bonds5

About 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide

5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide (PubChem CID 103770514) has the molecular formula C11H11ClF2INO3 and a molecular weight of 405.57 g/mol. Its IUPAC name is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
PubChem CID103770514
Molecular FormulaC11H11ClF2INO3
Molecular Weight405.57 g/mol
Exact Mass404.94
IUPAC Name5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
SMILESCOc1cc(I)c(Cl)cc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H11ClF2INO3/c1-19-9-3-7(15)6(12)2-5(9)11(18)16-4-8(17)10(13)14/h2-3,8,10,17H,4H2,1H3,(H,16,18)
InChIKeyPDQJTOKFKMIFSP-UHFFFAOYSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
CID 103839551
5-chloro-4-iodo-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide (CID 103770514) is 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide is COc1cc(I)c(Cl)cc1C(=O)NCC(O)C(F)F.
What is the InChIKey of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide?
The InChIKey is PDQJTOKFKMIFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2INO3/c1-19-9-3-7(15)6(12)2-5(9)11(18)16-4-8(17)10(13)14/h2-3,8,10,17H,4H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide?
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide has a molecular weight of 405.57 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 103770514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).