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

C18H15ClN2O2 — CID 174434623

IUPACN-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-10-15-14-8-7-13(19)9-16(14)21-17(15)18(23)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyIOJPCVLYXAHBKJ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.69
Rot. Bonds4

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

N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide (PubChem CID 174434623) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
PubChem CID174434623
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O2/c1-11(22)20-10-15-14-8-7-13(19)9-16(14)21-17(15)18(23)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,20,22)
InChIKeyIOJPCVLYXAHBKJ-UHFFFAOYSA-N
XLogP3.69
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
CID 18368099
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
tert-butyl N-[(2-benzoyl-1H-indol-3-yl)methyl]carbamate
CID 70124222
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
CID 18368226
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide (CID 174434623) is N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide is CC(=O)NCc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide?
The InChIKey is IOJPCVLYXAHBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11(22)20-10-15-14-8-7-13(19)9-16(14)21-17(15)18(23)12-5-3-2-4-6-12/h2-9,21H,10H2,1H3,(H,20,22).
What are the key properties of N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide?
N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide is sourced from PubChem (CID 174434623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).