N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

C24H18N2O5 — CID 86650418

IUPACN-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1
InChIInChI=1S/C24H18N2O5/c1-14(27)25-20-10-3-2-9-18(20)15-6-4-8-17(12-15)26-23(29)19-13-16-7-5-11-21(28)22(16)31-24(19)30/h2-13,28H,1H3,(H,25,27)(H,26,29)
InChIKeyDRBPAPNBUGFKID-UHFFFAOYSA-N
MW414.42 g/mol
LogP4.38
Rot. Bonds4

About N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide

N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (PubChem CID 86650418) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
PubChem CID86650418
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC NameN-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1
InChIInChI=1S/C24H18N2O5/c1-14(27)25-20-10-3-2-9-18(20)15-6-4-8-17(12-15)26-23(29)19-13-16-7-5-11-21(28)22(16)31-24(19)30/h2-13,28H,1H3,(H,25,27)(H,26,29)
InChIKeyDRBPAPNBUGFKID-UHFFFAOYSA-N
XLogP4.38
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-ethoxy-3-pyridinyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650369
8-hydroxy-2-oxo-N-[3-(4-phenoxyphenyl)phenyl]chromene-3-carboxamide
CID 86650382
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
8-hydroxy-2-oxo-N-[3-(1H-pyrazol-4-yl)phenyl]chromene-3-carboxamide
CID 86650444
N-[3-[6-(dimethylamino)-3-pyridinyl]phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650433
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
CID 110745871
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-(2-chlorophenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794157
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide (CID 86650418) is N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is CC(=O)Nc1ccccc1-c1cccc(NC(=O)c2cc3cccc(O)c3oc2=O)c1.
What is the InChIKey of N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
The InChIKey is DRBPAPNBUGFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-14(27)25-20-10-3-2-9-18(20)15-6-4-8-17(12-15)26-23(29)19-13-16-7-5-11-21(28)22(16)31-24(19)30/h2-13,28H,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide?
N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-acetamidophenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 86650418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).