N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide

C22H16FNO — CID 142778409

IUPACN-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2cc3cccccc-3c2c1
InChIInChI=1S/C22H16FNO/c23-19-10-6-15(7-11-19)14-24-22(25)18-9-8-17-12-16-4-2-1-3-5-20(16)21(17)13-18/h1-13H,14H2,(H,24,25)
InChIKeyWYIGMLHKNFPTFW-UHFFFAOYSA-N
MW329.37 g/mol
LogP5.01
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide

N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide (PubChem CID 142778409) has the molecular formula C22H16FNO and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide
PubChem CID142778409
Molecular FormulaC22H16FNO
Molecular Weight329.37 g/mol
Exact Mass329.12
IUPAC NameN-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2cc3cccccc-3c2c1
InChIInChI=1S/C22H16FNO/c23-19-10-6-15(7-11-19)14-24-22(25)18-9-8-17-12-16-4-2-1-3-5-20(16)21(17)13-18/h1-13H,14H2,(H,24,25)
InChIKeyWYIGMLHKNFPTFW-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 135741408
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-benzyl-2-[2-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 58247843
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
N-[[4-(4-fluorophenyl)phenyl]methyl]-6,11,11-trioxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 140910741
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide (CID 142778409) is N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2cc3cccccc-3c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide?
The InChIKey is WYIGMLHKNFPTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO/c23-19-10-6-15(7-11-19)14-24-22(25)18-9-8-17-12-16-4-2-1-3-5-20(16)21(17)13-18/h1-13H,14H2,(H,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide?
N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]benzo[a]azulene-3-carboxamide is sourced from PubChem (CID 142778409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).