N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide

C16H13ClN2O2 — CID 56581495

IUPACN-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc(Cl)ccc2O)cc2ccccc21
InChIInChI=1S/C16H13ClN2O2/c1-19-13-5-3-2-4-10(13)8-14(19)16(21)18-12-9-11(17)6-7-15(12)20/h2-9,20H,1H3,(H,18,21)
InChIKeyUQRAJCMQJBMIAW-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.79
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide (PubChem CID 56581495) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
PubChem CID56581495
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cc(Cl)ccc2O)cc2ccccc21
InChIInChI=1S/C16H13ClN2O2/c1-19-13-5-3-2-4-10(13)8-14(19)16(21)18-12-9-11(17)6-7-15(12)20/h2-9,20H,1H3,(H,18,21)
InChIKeyUQRAJCMQJBMIAW-UHFFFAOYSA-N
XLogP3.79
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide (CID 56581495) is N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2cc(Cl)ccc2O)cc2ccccc21.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide?
The InChIKey is UQRAJCMQJBMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-19-13-5-3-2-4-10(13)8-14(19)16(21)18-12-9-11(17)6-7-15(12)20/h2-9,20H,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.79, 2 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)-1-methylindole-2-carboxamide is sourced from PubChem (CID 56581495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).