3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide

C25H23Cl2NO3 — CID 58285018

IUPAC3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESO=C(NC(CO)CO)c1cccc(-c2ccc3c(c2)C(c2cc(Cl)ccc2Cl)CC3)c1
InChIInChI=1S/C25H23Cl2NO3/c26-19-7-9-24(27)23(12-19)21-8-6-15-4-5-17(11-22(15)21)16-2-1-3-18(10-16)25(31)28-20(13-29)14-30/h1-5,7,9-12,20-21,29-30H,6,8,13-14H2,(H,28,31)
InChIKeyOEDXZHIDQXABEO-UHFFFAOYSA-N
MW456.37 g/mol
LogP4.82
Rot. Bonds6

About 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide

3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide (PubChem CID 58285018) has the molecular formula C25H23Cl2NO3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide
PubChem CID58285018
Molecular FormulaC25H23Cl2NO3
Molecular Weight456.37 g/mol
Exact Mass455.11
IUPAC Name3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESO=C(NC(CO)CO)c1cccc(-c2ccc3c(c2)C(c2cc(Cl)ccc2Cl)CC3)c1
InChIInChI=1S/C25H23Cl2NO3/c26-19-7-9-24(27)23(12-19)21-8-6-15-4-5-17(11-22(15)21)16-2-1-3-18(10-16)25(31)28-20(13-29)14-30/h1-5,7,9-12,20-21,29-30H,6,8,13-14H2,(H,28,31)
InChIKeyOEDXZHIDQXABEO-UHFFFAOYSA-N
XLogP4.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.37
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[4-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-6-yl]-N-(2-hydroxyethyl)benzamide
CID 58284965
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
N-(1,3-dihydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107031183
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
N-(2-cyanoethyl)-3-[1-(2,5-dichlorophenyl)-2,3-dihydroindol-6-yl]benzamide
CID 58284983
3-chloro-N-(dicyclopropylmethyl)benzamide
CID 18153337
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide?
The IUPAC name of 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide (CID 58285018) is 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide is O=C(NC(CO)CO)c1cccc(-c2ccc3c(c2)C(c2cc(Cl)ccc2Cl)CC3)c1.
What is the InChIKey of 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide?
The InChIKey is OEDXZHIDQXABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO3/c26-19-7-9-24(27)23(12-19)21-8-6-15-4-5-17(11-22(15)21)16-2-1-3-18(10-16)25(31)28-20(13-29)14-30/h1-5,7,9-12,20-21,29-30H,6,8,13-14H2,(H,28,31).
What are the key properties of 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide?
3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide has a molecular weight of 456.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-5-yl]-N-(1,3-dihydroxypropan-2-yl)benzamide is sourced from PubChem (CID 58285018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).