2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide

C24H22N2O5 — CID 175530870

IUPAC2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESNC(=O)Cc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2
InChIInChI=1S/C24H22N2O5/c25-22(29)9-16-7-4-8-17-12-26(13-19(16)17)24(30)23-20(28)10-18(27)11-21(23)31-14-15-5-2-1-3-6-15/h1-8,10-11,27-28H,9,12-14H2,(H2,25,29)
InChIKeyRFZRELWMCXKLEV-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.86
Rot. Bonds6

About 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide

2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide (PubChem CID 175530870) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide
PubChem CID175530870
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide
SMILESNC(=O)Cc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2
InChIInChI=1S/C24H22N2O5/c25-22(29)9-16-7-4-8-17-12-26(13-19(16)17)24(30)23-20(28)10-18(27)11-21(23)31-14-15-5-2-1-3-6-15/h1-8,10-11,27-28H,9,12-14H2,(H2,25,29)
InChIKeyRFZRELWMCXKLEV-UHFFFAOYSA-N
XLogP2.86
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 166486107
3-[[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]oxy]cyclobutane-1-carbonitrile
CID 166486123
tert-butyl 3-[[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]oxymethyl]azetidine-1-carboxylate
CID 166485944
(2,4-dihydroxy-6-phenylmethoxyphenyl)-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166485894
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[8-[(1-methylpiperidin-4-yl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166486138
[2-[(4-fluorophenyl)methoxy]-4,6-dihydroxyphenyl]-[4-(oxolan-3-ylamino)-1,3-dihydroisoindol-2-yl]methanone
CID 166486168
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[8-[[(3S)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166486068
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166485945
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[6-[(dimethylamino)methyl]-8-[[(3S)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166485964
2-[4-(4-formyl-1,3-dihydroisoindole-2-carbonyl)-3-(5-methyl-2-sulfophenyl)-5-phenylmethoxyphenyl]-4-methylbenzenesulfonic acid
CID 175837800
1-[4-[[amino-[(Z)-2-amino-2-phenylethenyl]amino]methyl]-1,3-dihydroisoindol-2-yl]ethanone
CID 171566765
(2,4-dihydroxy-6-phenylmethoxyphenyl)-[6-[2-(dimethylamino)ethoxy]-8-[[(3R)-oxolan-3-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166486033

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide?
The IUPAC name of 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide (CID 175530870) is 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide.
What is the SMILES notation for 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide?
The canonical SMILES for 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide is NC(=O)Cc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2.
What is the InChIKey of 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide?
The InChIKey is RFZRELWMCXKLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c25-22(29)9-16-7-4-8-17-12-26(13-19(16)17)24(30)23-20(28)10-18(27)11-21(23)31-14-15-5-2-1-3-6-15/h1-8,10-11,27-28H,9,12-14H2,(H2,25,29).
What are the key properties of 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide?
2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dihydroxy-6-phenylmethoxybenzoyl)-1,3-dihydroisoindol-4-yl]acetamide is sourced from PubChem (CID 175530870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).