N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide

C17H16N2O5 — CID 58798079

IUPACN-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(C(C)=O)cc2)c(O)cc1O
InChIInChI=1S/C17H16N2O5/c1-9(20)11-3-5-12(6-4-11)17(24)19-14-7-13(18-10(2)21)15(22)8-16(14)23/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24)
InChIKeyKBPQFKPAJPVSHA-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.51
Rot. Bonds4

About N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide

N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide (PubChem CID 58798079) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
PubChem CID58798079
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(C(C)=O)cc2)c(O)cc1O
InChIInChI=1S/C17H16N2O5/c1-9(20)11-3-5-12(6-4-11)17(24)19-14-7-13(18-10(2)21)15(22)8-16(14)23/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24)
InChIKeyKBPQFKPAJPVSHA-UHFFFAOYSA-N
XLogP2.51
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[2-hydroxy-4-methyl-5-[2,2,2-trifluoro-1-[4-hydroxy-2-methyl-5-(methylamino)phenyl]ethyl]phenyl]benzamide
CID 169074134
4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
N-(5-acetyl-2-hydroxyphenyl)-3,4,5-triethoxybenzamide
CID 75401141
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
(4-benzamido-5-hydroxy-2-methylphenyl)azanium
CID 142074982
1-N,3-N-bis[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
CID 58868378
4-(4-acetylphenoxy)-N-[2-hydroxy-4-[1,1,1-trifluoro-2-[3-hydroxy-4-(methylamino)phenyl]propan-2-yl]phenyl]benzamide
CID 167543663
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
1-(4-acetylphenyl)ethanone;methane
CID 159515104
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide?
The IUPAC name of N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide (CID 58798079) is N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide.
What is the SMILES notation for N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide?
The canonical SMILES for N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide is CC(=O)Nc1cc(NC(=O)c2ccc(C(C)=O)cc2)c(O)cc1O.
What is the InChIKey of N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide?
The InChIKey is KBPQFKPAJPVSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-9(20)11-3-5-12(6-4-11)17(24)19-14-7-13(18-10(2)21)15(22)8-16(14)23/h3-8,22-23H,1-2H3,(H,18,21)(H,19,24).
What are the key properties of N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide?
N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide has a molecular weight of 328.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2,4-dihydroxyphenyl)-4-acetylbenzamide is sourced from PubChem (CID 58798079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).