3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide

C24H21Cl2NO3 — CID 58284965

IUPAC3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3c(c2)C(c2ccc(Cl)cc2Cl)CCO3)c1
InChIInChI=1S/C24H21Cl2NO3/c25-18-5-6-20(22(26)14-18)19-8-11-30-23-7-4-16(13-21(19)23)15-2-1-3-17(12-15)24(29)27-9-10-28/h1-7,12-14,19,28H,8-11H2,(H,27,29)
InChIKeyWIJPICWIKTYGKL-UHFFFAOYSA-N
MW442.34 g/mol
LogP5.30
Rot. Bonds5

About 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide

3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide (PubChem CID 58284965) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide
PubChem CID58284965
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC Name3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3c(c2)C(c2ccc(Cl)cc2Cl)CCO3)c1
InChIInChI=1S/C24H21Cl2NO3/c25-18-5-6-20(22(26)14-18)19-8-11-30-23-7-4-16(13-21(19)23)15-2-1-3-17(12-15)24(29)27-9-10-28/h1-7,12-14,19,28H,8-11H2,(H,27,29)
InChIKeyWIJPICWIKTYGKL-UHFFFAOYSA-N
XLogP5.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,4-dichlorophenyl)indol-6-yl]-N-(2-hydroxyethyl)benzamide
CID 58285058
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-[3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]benzoic acid
CID 67059869
3-[3-(2,4-dichlorophenoxy)-2,3-dihydro-1H-inden-5-yl]-N-(2-methylsulfanylethyl)benzamide
CID 58285066
3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 58285018
[4-[3-(2-hydroxyethylcarbamoyl)phenyl]phenyl] acetate
CID 2274112
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl] 6-chloro-3,4-dihydro-2H-chromene-4-carboperoxoate
CID 90339827
3-chloro-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]benzamide
CID 110787887
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-(3,4-difluorophenyl)-N-(oxan-4-ylmethyl)benzamide
CID 118793007

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide (CID 58284965) is 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(-c2ccc3c(c2)C(c2ccc(Cl)cc2Cl)CCO3)c1.
What is the InChIKey of 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is WIJPICWIKTYGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c25-18-5-6-20(22(26)14-18)19-8-11-30-23-7-4-16(13-21(19)23)15-2-1-3-17(12-15)24(29)27-9-10-28/h1-7,12-14,19,28H,8-11H2,(H,27,29).
What are the key properties of 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide?
3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 442.34 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 58284965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).