N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C15H9ClN2O4 — CID 167991021

IUPACN-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H9ClN2O4/c16-10-2-1-3-11(12(10)19)17-13(20)7-4-5-8-9(6-7)15(22)18-14(8)21/h1-6,19H,(H,17,20)(H,18,21,22)
InChIKeyHEUDSYSJCDWBRR-UHFFFAOYSA-N
MW316.70 g/mol
LogP2.18
Rot. Bonds2

About N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 167991021) has the molecular formula C15H9ClN2O4 and a molecular weight of 316.70 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID167991021
Molecular FormulaC15H9ClN2O4
Molecular Weight316.70 g/mol
Exact Mass316.03
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1O)c1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C15H9ClN2O4/c16-10-2-1-3-11(12(10)19)17-13(20)7-4-5-8-9(6-7)15(22)18-14(8)21/h1-6,19H,(H,17,20)(H,18,21,22)
InChIKeyHEUDSYSJCDWBRR-UHFFFAOYSA-N
XLogP2.18
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9324882
1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 54485980
2-chloro-N-(1,3-dioxoisoindol-4-yl)benzamide
CID 9322151
methyl 3-[[2-(2-chlorophenyl)-1,3-dioxoisoindole-5-carbonyl]amino]-2-hydroxybenzoate
CID 108768103
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
N-(2-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600737
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 167991021) is N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1cccc(Cl)c1O)c1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is HEUDSYSJCDWBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O4/c16-10-2-1-3-11(12(10)19)17-13(20)7-4-5-8-9(6-7)15(22)18-14(8)21/h1-6,19H,(H,17,20)(H,18,21,22).
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 316.70 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 167991021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).