N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide

C19H15ClN2O3 — CID 18368229

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O3/c1-11(23)9-16(24)22-17-14-8-7-13(20)10-15(14)21-18(17)19(25)12-5-3-2-4-6-12/h2-8,10,21H,9H2,1H3,(H,22,24)
InChIKeyWDOIOQAZYPCKPU-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.97
Rot. Bonds5

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide (PubChem CID 18368229) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
PubChem CID18368229
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H15ClN2O3/c1-11(23)9-16(24)22-17-14-8-7-13(20)10-15(14)21-18(17)19(25)12-5-3-2-4-6-12/h2-8,10,21H,9H2,1H3,(H,22,24)
InChIKeyWDOIOQAZYPCKPU-UHFFFAOYSA-N
XLogP3.97
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
CID 18368099
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
CID 18368226
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
CID 18367804
N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
CID 174434623

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide (CID 18368229) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide is CC(=O)CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide?
The InChIKey is WDOIOQAZYPCKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11(23)9-16(24)22-17-14-8-7-13(20)10-15(14)21-18(17)19(25)12-5-3-2-4-6-12/h2-8,10,21H,9H2,1H3,(H,22,24).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide has a molecular weight of 354.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide is sourced from PubChem (CID 18368229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).