N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

C16H12N2O4 — CID 54736250

IUPACN-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNc1ccccc1NC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H12N2O4/c17-10-6-2-3-7-11(10)18-15(20)13-14(19)9-5-1-4-8-12(9)22-16(13)21/h1-8,19H,17H2,(H,18,20)
InChIKeyWEXBFJSBPXTXLP-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.33
Rot. Bonds2

About N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide

N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 54736250) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
PubChem CID54736250
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
SMILESNc1ccccc1NC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C16H12N2O4/c17-10-6-2-3-7-11(10)18-15(20)13-14(19)9-5-1-4-8-12(9)22-16(13)21/h1-8,19H,17H2,(H,18,20)
InChIKeyWEXBFJSBPXTXLP-UHFFFAOYSA-N
XLogP2.33
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
N-[3-chloro-4-(trifluoromethyl)thiophen-2-yl]-4-hydroxy-2-oxochromene-3-carboxamide
CID 88650334
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
CID 54715285
[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide (CID 54736250) is N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is Nc1ccccc1NC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is WEXBFJSBPXTXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c17-10-6-2-3-7-11(10)18-15(20)13-14(19)9-5-1-4-8-12(9)22-16(13)21/h1-8,19H,17H2,(H,18,20).
What are the key properties of N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide?
N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54736250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).