N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide

C24H23N3O3 — CID 160848649

IUPACN-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)CC2)c1ccc(NCCO)cc1
InChIInChI=1S/C24H23N3O3/c28-15-14-25-17-8-6-16(7-9-17)24(30)27-21-12-11-20(19-10-13-22(29)23(19)21)26-18-4-2-1-3-5-18/h1-9,11-12,25-26,28H,10,13-15H2,(H,27,30)
InChIKeySIYXTAFXHWMOKM-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.22
Rot. Bonds7

About N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide

N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide (PubChem CID 160848649) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound NameN-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
PubChem CID160848649
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)CC2)c1ccc(NCCO)cc1
InChIInChI=1S/C24H23N3O3/c28-15-14-25-17-8-6-16(7-9-17)24(30)27-21-12-11-20(19-10-13-22(29)23(19)21)26-18-4-2-1-3-5-18/h1-9,11-12,25-26,28H,10,13-15H2,(H,27,30)
InChIKeySIYXTAFXHWMOKM-UHFFFAOYSA-N
XLogP4.22
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-3-methoxybenzamide
CID 158240240
N-(3-oxo-7-phenylsulfanyl-1,2-dihydroinden-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 158600607
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 147109047
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-[2-(4-methylpiperazin-1-yl)ethylamino]benzamide
CID 122639099
N-(7-anilino-3-oxo-1,2-dihydroisoindol-4-yl)-4-(2-piperidin-1-ylethylamino)benzamide;hydrochloride
CID 122639499
N-[7-[3-methyl-5-(trifluoromethyl)anilino]-3-oxo-1,2-dihydroinden-4-yl]-4-(3-piperidin-1-ylpropylamino)benzamide
CID 160939097
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroinden-4-yl]-4-(3-methoxypropylamino)benzamide
CID 147020302
4-(2-morpholin-4-ylethylamino)-N-(3-oxo-7-thiophen-2-yl-1,2-dihydroinden-4-yl)benzamide
CID 161302701
N-[7-(3-amino-2-hydroxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-morpholin-4-ylethylamino)benzamide
CID 161482084
N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 122639077
N-[7-(furan-2-yl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-hydroxyethylamino)benzamide
CID 122639297

Frequently Asked Questions

What is the IUPAC name of N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide?
The IUPAC name of N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide (CID 160848649) is N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide?
The canonical SMILES for N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide is O=C(Nc1ccc(Nc2ccccc2)c2c1C(=O)CC2)c1ccc(NCCO)cc1.
What is the InChIKey of N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide?
The InChIKey is SIYXTAFXHWMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-15-14-25-17-8-6-16(7-9-17)24(30)27-21-12-11-20(19-10-13-22(29)23(19)21)26-18-4-2-1-3-5-18/h1-9,11-12,25-26,28H,10,13-15H2,(H,27,30).
What are the key properties of N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide?
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 160848649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).