N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide

C18H15ClN2O3 — CID 18367767

IUPACN-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
SMILESCOc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-10(22)20-16-14-8-5-12(19)9-15(14)21-17(16)18(23)11-3-6-13(24-2)7-4-11/h3-9,21H,1-2H3,(H,20,22)
InChIKeyKLZREYUUIQIOJH-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.02
Rot. Bonds4

About N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide

N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide (PubChem CID 18367767) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
PubChem CID18367767
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
SMILESCOc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)cc1
InChIInChI=1S/C18H15ClN2O3/c1-10(22)20-16-14-8-5-12(19)9-15(14)21-17(16)18(23)11-3-6-13(24-2)7-4-11/h3-9,21H,1-2H3,(H,20,22)
InChIKeyKLZREYUUIQIOJH-UHFFFAOYSA-N
XLogP4.02
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
N-[6-chloro-2-(4-chloropyridine-2-carbonyl)-1H-indol-3-yl]acetamide
CID 18368040
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155550487
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
CID 18368099
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919
N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
CID 18368049
(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
CID 71699522
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide (CID 18367767) is N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide is COc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(C)=O)cc1.
What is the InChIKey of N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide?
The InChIKey is KLZREYUUIQIOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-10(22)20-16-14-8-5-12(19)9-15(14)21-17(16)18(23)11-3-6-13(24-2)7-4-11/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide?
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide has a molecular weight of 342.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 18367767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).