N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide

C17H13NO4 — CID 2474419

IUPACN-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(O)c1
InChIInChI=1S/C17H13NO4/c1-10-6-7-12(14(20)8-10)18-17(21)16-9-13(19)11-4-2-3-5-15(11)22-16/h2-9,20H,1H3,(H,18,21)
InChIKeyMPSQJQZIVLKIRE-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.06
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide

N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 2474419) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
PubChem CID2474419
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(O)c1
InChIInChI=1S/C17H13NO4/c1-10-6-7-12(14(20)8-10)18-17(21)16-9-13(19)11-4-2-3-5-15(11)22-16/h2-9,20H,1H3,(H,18,21)
InChIKeyMPSQJQZIVLKIRE-UHFFFAOYSA-N
XLogP3.06
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
5-amino-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 82344285
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-[2-ethyl-4-[[3-ethyl-5-methyl-4-[(4-oxochromene-2-carbonyl)amino]phenyl]methyl]-5-methylphenyl]-4-oxochromene-2-carboxamide
CID 51059439
N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
CID 166216438
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide (CID 2474419) is N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide is Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is MPSQJQZIVLKIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-10-6-7-12(14(20)8-10)18-17(21)16-9-13(19)11-4-2-3-5-15(11)22-16/h2-9,20H,1H3,(H,18,21).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2474419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).