N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide

C17H13ClN2O3 — CID 18368034

IUPACN-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccc(O)c2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H13ClN2O3/c1-9(21)19-15-13-6-5-11(18)8-14(13)20-16(15)17(23)10-3-2-4-12(22)7-10/h2-8,20,22H,1H3,(H,19,21)
InChIKeyYJMNYEOLWNEDQK-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.72
Rot. Bonds3

About N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide

N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide (PubChem CID 18368034) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
PubChem CID18368034
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)c2cccc(O)c2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H13ClN2O3/c1-9(21)19-15-13-6-5-11(18)8-14(13)20-16(15)17(23)10-3-2-4-12(22)7-10/h2-8,20,22H,1H3,(H,19,21)
InChIKeyYJMNYEOLWNEDQK-UHFFFAOYSA-N
XLogP3.72
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide (CID 18368034) is N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide is CC(=O)Nc1c(C(=O)c2cccc(O)c2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide?
The InChIKey is YJMNYEOLWNEDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-9(21)19-15-13-6-5-11(18)8-14(13)20-16(15)17(23)10-3-2-4-12(22)7-10/h2-8,20,22H,1H3,(H,19,21).
What are the key properties of N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide?
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide has a molecular weight of 328.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 18368034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).