3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide

C21H19FN2O3 — CID 155155324

IUPAC3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide
SMILESC=C1/C(=N\c2ccc(NC(=O)c3cc(F)c(O)c(C=O)c3)cc2)CCC1C
InChIInChI=1S/C21H19FN2O3/c1-12-3-8-19(13(12)2)23-16-4-6-17(7-5-16)24-21(27)14-9-15(11-25)20(26)18(22)10-14/h4-7,9-12,26H,2-3,8H2,1H3,(H,24,27)/b23-19-
InChIKeyYFTPHCXDGNALSL-NMWGTECJSA-N
MW366.39 g/mol
LogP4.65
Rot. Bonds4

About 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide

3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide (PubChem CID 155155324) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide
PubChem CID155155324
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide
SMILESC=C1/C(=N\c2ccc(NC(=O)c3cc(F)c(O)c(C=O)c3)cc2)CCC1C
InChIInChI=1S/C21H19FN2O3/c1-12-3-8-19(13(12)2)23-16-4-6-17(7-5-16)24-21(27)14-9-15(11-25)20(26)18(22)10-14/h4-7,9-12,26H,2-3,8H2,1H3,(H,24,27)/b23-19-
InChIKeyYFTPHCXDGNALSL-NMWGTECJSA-N
XLogP4.65
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-formyl-4-hydroxy-N-phenylbenzamide
CID 155143444
N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
CID 155157885
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
CID 155143292
3-fluoro-5-formyl-4-hydroxy-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 155143635
N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620427
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
4-(2,6-dihydroxybenzoyl)-3-formyl-5-hydroxy-N-(4-methylphenyl)benzamide
CID 14856111
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620473
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
3,5-difluoro-4-(methylamino)-N-(4-methylphenyl)benzamide
CID 63187190

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide (CID 155155324) is 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide is C=C1/C(=N\c2ccc(NC(=O)c3cc(F)c(O)c(C=O)c3)cc2)CCC1C.
What is the InChIKey of 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide?
The InChIKey is YFTPHCXDGNALSL-NMWGTECJSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-3-8-19(13(12)2)23-16-4-6-17(7-5-16)24-21(27)14-9-15(11-25)20(26)18(22)10-14/h4-7,9-12,26H,2-3,8H2,1H3,(H,24,27)/b23-19-.
What are the key properties of 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide?
3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide has a molecular weight of 366.39 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide is sourced from PubChem (CID 155155324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).