3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide

C23H18Cl2N2O2 — CID 58285058

IUPAC3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ccn(-c4ccc(Cl)cc4Cl)c3c2)c1
InChIInChI=1S/C23H18Cl2N2O2/c24-19-6-7-21(20(25)14-19)27-10-8-15-4-5-17(13-22(15)27)16-2-1-3-18(12-16)23(29)26-9-11-28/h1-8,10,12-14,28H,9,11H2,(H,26,29)
InChIKeyIKEOQDZJPLTANU-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.33
Rot. Bonds5

About 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide

3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 58285058) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID58285058
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ccn(-c4ccc(Cl)cc4Cl)c3c2)c1
InChIInChI=1S/C23H18Cl2N2O2/c24-19-6-7-21(20(25)14-19)27-10-8-15-4-5-17(13-22(15)27)16-2-1-3-18(12-16)23(29)26-9-11-28/h1-8,10,12-14,28H,9,11H2,(H,26,29)
InChIKeyIKEOQDZJPLTANU-UHFFFAOYSA-N
XLogP5.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide
CID 58284965
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethylcarbamoyl)phenyl]-4-methylpyrazole-3-carboxamide
CID 177252995
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-hydroxyethyl)benzamide
CID 24811987
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58284983
2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
3-(4-chlorophenyl)-N-[3-(4-chlorophenyl)-3-(dimethylamino)propyl]benzamide
CID 69166105
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide (CID 58285058) is 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(-c2ccc3ccn(-c4ccc(Cl)cc4Cl)c3c2)c1.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is IKEOQDZJPLTANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-19-6-7-21(20(25)14-19)27-10-8-15-4-5-17(13-22(15)27)16-2-1-3-18(12-16)23(29)26-9-11-28/h1-8,10,12-14,28H,9,11H2,(H,26,29).
What are the key properties of 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide?
3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 425.32 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 58285058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).