N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide

C17H13ClN2O2 — CID 56581241

IUPACN-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)20-8-1-2-9-20/h1-11,21H,(H,19,22)
InChIKeyJSNJHMDLTOSMFO-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.09
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide

N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide (PubChem CID 56581241) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide
PubChem CID56581241
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)20-8-1-2-9-20/h1-11,21H,(H,19,22)
InChIKeyJSNJHMDLTOSMFO-UHFFFAOYSA-N
XLogP4.09
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
3-chloro-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 4592773
methyl 2-hydroxy-3-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 56543187
N-(5-chloro-2-hydroxyphenyl)-4-ethenylbenzamide
CID 58895575
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 56530330
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
3-chloro-N'-(4-pyrrol-1-ylbenzoyl)benzohydrazide
CID 27605122
N-(5-chloro-2-hydroxyphenyl)-3-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 118695528
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
methyl 2-chloro-5-[(3-pyrrol-1-ylbenzoyl)amino]benzoate
CID 34160976
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide (CID 56581241) is N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide is O=C(Nc1cc(Cl)ccc1O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is JSNJHMDLTOSMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-6-7-16(21)15(11-13)19-17(22)12-4-3-5-14(10-12)20-8-1-2-9-20/h1-11,21H,(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide?
N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 312.76 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 56581241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).