N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide

C16H15NO4 — CID 103955438

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc(O)c(O)c1
InChIInChI=1S/C16H15NO4/c18-13-6-5-10(9-14(13)19)16(20)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12,18-19H,7-8H2,(H,17,20)
InChIKeyXOLRIYSHMSBYFJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide

N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide (PubChem CID 103955438) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
PubChem CID103955438
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
SMILESO=C(NC1CCOc2ccccc21)c1ccc(O)c(O)c1
InChIInChI=1S/C16H15NO4/c18-13-6-5-10(9-14(13)19)16(20)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12,18-19H,7-8H2,(H,17,20)
InChIKeyXOLRIYSHMSBYFJ-UHFFFAOYSA-N
XLogP2.35
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1,3-benzothiazole-6-carboxamide
CID 164875010

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide (CID 103955438) is N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide is O=C(NC1CCOc2ccccc21)c1ccc(O)c(O)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide?
The InChIKey is XOLRIYSHMSBYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-13-6-5-10(9-14(13)19)16(20)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-6,9,12,18-19H,7-8H2,(H,17,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide has a molecular weight of 285.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide is sourced from PubChem (CID 103955438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).