N-(4-methoxyphenyl)anthracene-9-carboxamide

C22H17NO2 — CID 86045651

IUPACN-(4-methoxyphenyl)anthracene-9-carboxamide
SMILESCOc1ccc(NC(=O)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c1-25-18-12-10-17(11-13-18)23-22(24)21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3,(H,23,24)
InChIKeyOWWXITRBCJATMI-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.25
Rot. Bonds3

About N-(4-methoxyphenyl)anthracene-9-carboxamide

N-(4-methoxyphenyl)anthracene-9-carboxamide (PubChem CID 86045651) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)anthracene-9-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)anthracene-9-carboxamide
PubChem CID86045651
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC NameN-(4-methoxyphenyl)anthracene-9-carboxamide
SMILESCOc1ccc(NC(=O)c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H17NO2/c1-25-18-12-10-17(11-13-18)23-22(24)21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3,(H,23,24)
InChIKeyOWWXITRBCJATMI-UHFFFAOYSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015253
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
N-(4-methoxyphenyl)dibenzofuran-1-carboxamide
CID 134956238
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
3-hydroxy-N-(4-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 86129650
2-(4-methoxyphenyl)-3-methyl-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4115326
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
CID 143592435
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)anthracene-9-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)anthracene-9-carboxamide (CID 86045651) is N-(4-methoxyphenyl)anthracene-9-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)anthracene-9-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)anthracene-9-carboxamide is COc1ccc(NC(=O)c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)anthracene-9-carboxamide?
The InChIKey is OWWXITRBCJATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-25-18-12-10-17(11-13-18)23-22(24)21-19-8-4-2-6-15(19)14-16-7-3-5-9-20(16)21/h2-14H,1H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)anthracene-9-carboxamide?
N-(4-methoxyphenyl)anthracene-9-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)anthracene-9-carboxamide is sourced from PubChem (CID 86045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).