N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide

C16H11ClN2O4 — CID 168654062

IUPACN-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide
SMILESO=CNc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
InChIInChI=1S/C16H11ClN2O4/c17-12-5-9(6-13(14(12)21)18-8-20)7-19-15(22)10-3-1-2-4-11(10)16(19)23/h1-6,8,21H,7H2,(H,18,20)
InChIKeyCSBHKOSMLQSYMO-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.41
Rot. Bonds4

About N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide

N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide (PubChem CID 168654062) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide
PubChem CID168654062
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC NameN-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide
SMILESO=CNc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
InChIInChI=1S/C16H11ClN2O4/c17-12-5-9(6-13(14(12)21)18-8-20)7-19-15(22)10-3-1-2-4-11(10)16(19)23/h1-6,8,21H,7H2,(H,18,20)
InChIKeyCSBHKOSMLQSYMO-UHFFFAOYSA-N
XLogP2.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyanilino]methylidene]propanedinitrile
CID 168542616
2-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyanilino]ethene-1,1,2-tricarbonitrile
CID 168607724
2-[[3-chloro-5-(1,3-dioxoisoindol-2-yl)-4-hydroxyphenyl]methyl]isoindole-1,3-dione
CID 168517217
dimethyl (E)-2-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyanilino]but-2-enedioate
CID 168570018
2-[(3,4,5-trihydroxyphenyl)methyl]isoindole-1,3-dione
CID 91971420
2-[[3-bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
CID 15417918
2-[(3-chloro-4-nitrophenyl)methyl]isoindole-1,3-dione
CID 67300541
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
methyl 2-[3-chloro-4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]acetate
CID 12988819
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide?
The IUPAC name of N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide (CID 168654062) is N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide.
What is the SMILES notation for N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide?
The canonical SMILES for N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide is O=CNc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O.
What is the InChIKey of N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide?
The InChIKey is CSBHKOSMLQSYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-12-5-9(6-13(14(12)21)18-8-20)7-19-15(22)10-3-1-2-4-11(10)16(19)23/h1-6,8,21H,7H2,(H,18,20).
What are the key properties of N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide?
N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide has a molecular weight of 330.73 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-hydroxyphenyl]formamide is sourced from PubChem (CID 168654062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).