N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide

C22H15F2NO — CID 87769035

IUPACN-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C22H15F2NO/c23-20-8-7-18(21(24)12-20)13-25-22(26)17-6-5-16-9-14-3-1-2-4-15(14)10-19(16)11-17/h1-12H,13H2,(H,25,26)
InChIKeyPCLOKTHWKSCXMX-UHFFFAOYSA-N
MW347.36 g/mol
LogP5.20
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide

N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide (PubChem CID 87769035) has the molecular formula C22H15F2NO and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
PubChem CID87769035
Molecular FormulaC22H15F2NO
Molecular Weight347.36 g/mol
Exact Mass347.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C22H15F2NO/c23-20-8-7-18(21(24)12-20)13-25-22(26)17-6-5-16-9-14-3-1-2-4-15(14)10-19(16)11-17/h1-12H,13H2,(H,25,26)
InChIKeyPCLOKTHWKSCXMX-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
N-[(2,4-difluorophenyl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627623
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
N-[(2-fluorophenyl)methyl]-1H-indole-6-carboxamide
CID 39717434
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-[(2,4-difluorophenyl)methyl]-4-oxo-3-phenyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052371
2-bromo-N-[(2,4-difluorophenyl)methyl]-6-fluorobenzamide
CID 115678323

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide (CID 87769035) is N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide is O=C(NCc1ccc(F)cc1F)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide?
The InChIKey is PCLOKTHWKSCXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NO/c23-20-8-7-18(21(24)12-20)13-25-22(26)17-6-5-16-9-14-3-1-2-4-15(14)10-19(16)11-17/h1-12H,13H2,(H,25,26).
What are the key properties of N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]anthracene-2-carboxamide is sourced from PubChem (CID 87769035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).