N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide

C18H17ClN2O3 — CID 18724752

IUPACN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c3c(c2O)C(C)(C)C(=O)N3)c1
InChIInChI=1S/C18H17ClN2O3/c1-9-5-4-6-10(7-9)16(23)20-12-8-11(19)14-13(15(12)22)18(2,3)17(24)21-14/h4-8,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyFBSDLKXQOVBHRB-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.84
Rot. Bonds2

About N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide

N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide (PubChem CID 18724752) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide
PubChem CID18724752
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)c3c(c2O)C(C)(C)C(=O)N3)c1
InChIInChI=1S/C18H17ClN2O3/c1-9-5-4-6-10(7-9)16(23)20-12-8-11(19)14-13(15(12)22)18(2,3)17(24)21-14/h4-8,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyFBSDLKXQOVBHRB-UHFFFAOYSA-N
XLogP3.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.84
H-Bond Donors ≤ 53
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-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide?
The IUPAC name of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide (CID 18724752) is N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)c3c(c2O)C(C)(C)C(=O)N3)c1.
What is the InChIKey of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide?
The InChIKey is FBSDLKXQOVBHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-9-5-4-6-10(7-9)16(23)20-12-8-11(19)14-13(15(12)22)18(2,3)17(24)21-14/h4-8,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide?
N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide has a molecular weight of 344.80 g/mol, XLogP of 3.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)-3-methylbenzamide is sourced from PubChem (CID 18724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).