N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide

C23H19Cl2N3O2 — CID 58285014

IUPACN-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
SMILESNC(=O)CNC(=O)c1cccc(-c2ccc3c(c2)N(c2cccc(Cl)c2Cl)CC3)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-18-5-2-6-19(22(18)25)28-10-9-14-7-8-16(12-20(14)28)15-3-1-4-17(11-15)23(30)27-13-21(26)29/h1-8,11-12H,9-10,13H2,(H2,26,29)(H,27,30)
InChIKeyMKRWDYHPRSXTTG-UHFFFAOYSA-N
MW440.33 g/mol
LogP4.57
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide

N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide (PubChem CID 58285014) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
PubChem CID58285014
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC NameN-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
SMILESNC(=O)CNC(=O)c1cccc(-c2ccc3c(c2)N(c2cccc(Cl)c2Cl)CC3)c1
InChIInChI=1S/C23H19Cl2N3O2/c24-18-5-2-6-19(22(18)25)28-10-9-14-7-8-16(12-20(14)28)15-3-1-4-17(11-15)23(30)27-13-21(26)29/h1-8,11-12H,9-10,13H2,(H2,26,29)(H,27,30)
InChIKeyMKRWDYHPRSXTTG-UHFFFAOYSA-N
XLogP4.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58284983
3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]benzoic acid
CID 67059831
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
N-(2-cyanoethyl)-3-[1-[(3,4-dichlorophenyl)methyl]-2,3-dihydroindol-6-yl]benzamide
CID 58284971
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
1-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-4-(dimethylamino)butan-1-one
CID 58285012
5-[3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]phenyl]-5-oxopentanenitrile
CID 58285015
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
CID 89417127
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide (CID 58285014) is N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide is NC(=O)CNC(=O)c1cccc(-c2ccc3c(c2)N(c2cccc(Cl)c2Cl)CC3)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is MKRWDYHPRSXTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-18-5-2-6-19(22(18)25)28-10-9-14-7-8-16(12-20(14)28)15-3-1-4-17(11-15)23(30)27-13-21(26)29/h1-8,11-12H,9-10,13H2,(H2,26,29)(H,27,30).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide?
N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 440.33 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[1-(2,3-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 58285014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).