N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide

C13H9ClINO3 — CID 107626246

IUPACN-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(O)c1O
InChIInChI=1S/C13H9ClINO3/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)
InChIKeyBPOUOWVCAKYAEK-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.61
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide

N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide (PubChem CID 107626246) has the molecular formula C13H9ClINO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
PubChem CID107626246
Molecular FormulaC13H9ClINO3
Molecular Weight389.58 g/mol
Exact Mass388.93
IUPAC NameN-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1cccc(O)c1O
InChIInChI=1S/C13H9ClINO3/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19)
InChIKeyBPOUOWVCAKYAEK-UHFFFAOYSA-N
XLogP3.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
3-chloro-4-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343365
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide (CID 107626246) is N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide is O=C(Nc1ccc(Cl)cc1I)c1cccc(O)c1O.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide?
The InChIKey is BPOUOWVCAKYAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClINO3/c14-7-4-5-10(9(15)6-7)16-13(19)8-2-1-3-11(17)12(8)18/h1-6,17-18H,(H,16,19).
What are the key properties of N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide?
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide has a molecular weight of 389.58 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 107626246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).