N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide

C18H18ClNO3 — CID 75381312

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H18ClNO3/c19-15-7-5-12(6-8-15)16(21)11-20-17(22)18(23)9-13-3-1-2-4-14(13)10-18/h1-8,16,21,23H,9-11H2,(H,20,22)
InChIKeySVDRWEDMLPOHFG-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide (PubChem CID 75381312) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
PubChem CID75381312
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C18H18ClNO3/c19-15-7-5-12(6-8-15)16(21)11-20-17(22)18(23)9-13-3-1-2-4-14(13)10-18/h1-8,16,21,23H,9-11H2,(H,20,22)
InChIKeySVDRWEDMLPOHFG-UHFFFAOYSA-N
XLogP2.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide (CID 75381312) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide is O=C(NCC(O)c1ccc(Cl)cc1)C1(O)Cc2ccccc2C1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
The InChIKey is SVDRWEDMLPOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-7-5-12(6-8-15)16(21)11-20-17(22)18(23)9-13-3-1-2-4-14(13)10-18/h1-8,16,21,23H,9-11H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-hydroxy-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 75381312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).